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Chemical ID: 4202308
Chemical ID:
4202308
Name [?]:
N-cyclopropyl-4-methoxy-benzenesulfonamide
SMILES [?]:
COc1ccc(cc1)S(=O)(=O)NC2CC2
InChi [?]:
InChI=1/C10H13NO3S/c1-14-9-4-6-10(7-5-9)15(12,13)11-8-2-3-8/h4-8,11H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,4,8,5,7,13,3,6,12,10,11,2,9/E:(2,3)(4,5)(6,7)(12,13)/CRV:15.6/rA:15nCOCCCCCCSOONCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;s13s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO3S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.83144 |
Area: | 396.942 |
Solvation: | -3.09211 |
Coulombic: | -19.0425 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 227.281 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.33 |
LogP (Chemaxon): | 1.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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