Chemical ID: 6914389

CC(C)C(C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c2ccc(cc2)OC
Chemical ID:
6914389
Name [?]:
2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butanehydroxamic acid
SMILES [?]:
CC(C)C(C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,27,13,12,22,24,21,25,14,16,10,2,11,23,20,4,5,15,7,9,6,8,18,19,26,17/E:(1,2)(6,7)(8,9)(24,25)/CRV:27.6/rA:27cCCCCCONONCCCCCNCSOOCCCCCCOC/rB:s1;s2;s2;s4;d5;s5;s7;s4;s9;s10;s11;d12;s13;d14;d11s15;s9;d17;d17;s17;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23N3O5S
All Atoms:50
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:6.42011
Area:548.796
Solvation:-7.2998
Coulombic:-46.6584
Bond Count [?]
All:28
Single:19
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:393.458
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.4
LogP (Chemaxon):1.26

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Descriptor Annotations

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