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Chemical ID: 6664023
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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