Chemical ID: 6664023

CCCCCCCCCCCCCCCCN(C)c1ccc(cc1N)S(=O)(=O)C
Chemical ID:
6664023
Name [?]:
N-hexadecyl-N-methyl-4-methylsulfonyl-benzene-1,2-diamine
SMILES [?]:
CCCCCCCCCCCCCCCCN(C)c1ccc(cc1N)S(=O)(=O)C
InChi [?]:
InChI=1/C24H44N2O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26(2)24-19-18-22(21-23(24)25)29(3,27)28/h18-19,21H,4-17,20,25H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,29,2,3,4,5,6,7,8,9,10,11,12,13,14,15,21,20,16,23,22,24,19,25,17,27,28,26/E:(27,28)/CRV:29.6/rA:29cCCCCCCCCCCCCCCCCNCCCCCCCNSOOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s17;s19;d20;s21;d22;d19s23;s24;s22;d26;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H44N2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:16.2481
Area:774.496
Solvation:-3.11429
Coulombic:-29.0324
Bond Count [?]
All:29
Single:24
Double:5
Rotors:17
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:424.684
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:7.64
LogP (Chemaxon):6.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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