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Chemical ID: 3880719
Chemical ID:
3880719
Name [?]:
N-(3-hydroxypropyl)-4-(1-piperidylsulfonyl)benzenesulfonamide
SMILES [?]:
c1cc(ccc1S(=O)(=O)NCCCO)S(=O)(=O)N2CCCCC2
InChi [?]:
InChI=1/C14H22N2O5S2/c17-12-4-9-15-22(18,19)13-5-7-14(8-6-13)23(20,21)16-10-2-1-3-11-16/h5-8,15,17H,1-4,9-12H2
InChi Info:
AuxInfo=1/0/N:21,20,22,12,1,5,2,4,11,19,23,13,6,3,10,18,14,8,9,16,17,7,15/E:(2,3)(5,6)(7,8)(10,11)(18,19)(20,21)/CRV:22.6,23.6/rA:23nCCCCCCSOONCCCOSOONCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s3;d15;d15;s15;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22N2O5S2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.29725 |
Area: | 555.967 |
Solvation: | -4.60192 |
Coulombic: | -34.8364 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 362.467 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 0.47 |
LogP (Chemaxon): | 0.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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