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Chemical ID: 4803666
Chemical ID:
4803666
Name [?]:
N-cyclopentyl-4-methoxy-N-(2-thienylmethyl)benzenesulfonamide
SMILES [?]:
COc1ccc(cc1)S(=O)(=O)N(Cc2cccs2)C3CCCC3
InChi [?]:
InChI=1/C17H21NO3S2/c1-21-15-8-10-17(11-9-15)23(19,20)18(14-5-2-3-6-14)13-16-7-4-12-22-16/h4,7-12,14H,2-3,5-6,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,22,16,20,23,15,4,8,5,7,17,13,19,3,14,6,12,10,11,2,18,9/E:(2,3)(5,6)(8,9)(10,11)(19,20)/CRV:23.6/rA:23cCOCCCCCCSOONCCCCCSCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;s14s17;s12;s19;s20;s21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21NO3S2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.23841 |
Area: | 498.23 |
Solvation: | -3.21733 |
Coulombic: | -16.7619 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 351.486 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.06 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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