Chemical ID: 4079561

CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C)Cc2cccnc2
Chemical ID:
4079561
Name [?]:
N-methyl-N-(3-pyridylmethyl)-4-tert-butyl-benzenesulfonamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C)Cc2cccnc2
InChi [?]:
InChI=1/C17H22N2O2S/c1-17(2,3)15-7-9-16(10-8-15)22(20,21)19(4)13-14-6-5-11-18-12-14/h5-12H,13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,15,19,18,6,10,7,9,20,22,16,17,5,8,2,21,14,12,13,11/E:(1,2,3)(7,8)(9,10)(20,21)/CRV:22.6/rA:22cCCCCCCCCCCSOONCCCCCCNC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;s14;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.1218
Area:512.992
Solvation:-2.70298
Coulombic:-13.6777
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:318.435
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.38
LogP (Chemaxon):3.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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