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Chemical ID: 3965387

C=CCSCC1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl

Chemical ID:

3965387

Name [?]:

9-(allylsulfanylmethyl)-3-chloro-7,7-dioxo-7$l^{6}-thia-8,10-diazabicyclo[4.4.0]deca-2,4,11-triene-4-sulfonamide

SMILES [?]:

C=CCSCC1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl

InChi [?]:

InChI=1/C11H14ClN3O4S3/c1-2-3-20-6-11-14-8-4-7(12)9(21(13,16)17)5-10(8)22(18,19)15-11/h2,4-5,11,14-15H,1,3,6H2,(H2,13,16,17)

InChi Info:

AuxInfo=1/1/N:1,2,3,9,12,5,10,8,11,13,6,22,21,7,17,19,20,15,16,4,18,14/E:(16,17)(18,19)/CRV:21.6,22.6/rA:22cCCCSCCNCCCCCCSOONSOONCl/rB:d1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;d14;s6s14;s11;d18;d18;s18;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₄ClN₃O₄S₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	9.23041
Area:	537.903
Solvation:	-4.21717
Coulombic:	-39.3958

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	383.897
H-Bond Donors:	4
H-Bond Acceptors:	7
XLogP:	0.95
LogP (Chemaxon):	1.57

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value