ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 5155827

Chemical ID:

5155827

Name [?]:

2-(4-aminophenyl)sulfonyl-N-ethyl-acetamide

SMILES [?]:

CCNC(=O)CS(=O)(=O)c1ccc(cc1)N

InChi [?]:

InChI=1/C10H14N2O3S/c1-2-12-10(13)7-16(14,15)9-5-3-8(11)4-6-9/h3-6H,2,7,11H2,1H3,(H,12,13)

InChi Info:

AuxInfo=1/1/N:1,2,12,14,11,15,6,13,10,4,16,3,5,8,9,7/E:(3,4)(5,6)(14,15)/CRV:16.6/rA:16nCCNCOCSOOCCCCCCN/rB:s1;s2;s3;d4;s4;s6;d7;d7;s7;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₄N₂O₃S
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	5.89859
Area:	422.629
Solvation:	-4.66713
Coulombic:	-38.0808

Bond Count [?]

All:	16
Single:	10
Double:	6
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	242.296
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	-0.44
LogP (Chemaxon):	-0.33

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