Chemical ID: 7093301

CN1CCN(CC1)C(=O)CN(c2ccc(c(c2)Cl)OC)S(=O)(=O)C
Chemical ID:
7093301
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-N-[(4-methylpiperazin-1-yl)carbonylmethyl]methanesulfonamide
SMILES [?]:
CN1CCN(CC1)C(=O)CN(c2ccc(c(c2)Cl)OC)S(=O)(=O)C
InChi [?]:
InChI=1/C15H22ClN3O4S/c1-17-6-8-18(9-7-17)15(20)11-19(24(3,21)22)12-4-5-14(23-2)13(16)10-12/h4-5,10H,6-9,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,24,13,14,3,7,4,6,17,10,12,16,15,8,18,2,5,11,9,22,23,19,21/E:(6,7)(8,9)(21,22)/CRV:24.6/rA:24cCNCCNCCCOCNCCCCCCClOCSOOC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s15;s19;s11;d21;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22ClN3O4S
All Atoms:46
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.62448
Area:554.335
Solvation:-5.2339
Coulombic:-32.3958
Bond Count [?]
All:25
Single:19
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:375.872
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:1.32
LogP (Chemaxon):0.04

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