4-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N,N-diphenylbenzamide

C32H24BrClN2O3S — CID 102095863

IUPAC4-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N,N-diphenylbenzamide
SMILESO=C(c1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H24BrClN2O3S/c33-26-15-21-31(22-16-26)40(38,39)35(23-24-11-17-27(34)18-12-24)28-19-13-25(14-20-28)32(37)36(29-7-3-1-4-8-29)30-9-5-2-6-10-30/h1-22H,23H2
InChIKeyGDKPIPSECLHKCK-UHFFFAOYSA-N
MW631.98 g/mol
LogP8.48
Rot. Bonds8

About 4-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N,N-diphenylbenzamide

4-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N,N-diphenylbenzamide (PubChem CID 102095863) has the molecular formula C32H24BrClN2O3S and a molecular weight of 631.98 g/mol. Its IUPAC name is 4-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N,N-diphenylbenzamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N,N-diphenylbenzamide
PubChem CID102095863
Molecular FormulaC32H24BrClN2O3S
Molecular Weight631.98 g/mol
Exact Mass630.04
IUPAC Name4-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N,N-diphenylbenzamide
SMILESO=C(c1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H24BrClN2O3S/c33-26-15-21-31(22-16-26)40(38,39)35(23-24-11-17-27(34)18-12-24)28-19-13-25(14-20-28)32(37)36(29-7-3-1-4-8-29)30-9-5-2-6-10-30/h1-22H,23H2
InChIKeyGDKPIPSECLHKCK-UHFFFAOYSA-N
XLogP8.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.98
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(3-bromophenyl)-4-chlorobenzenesulfonamide
CID 46021781
(2S)-2-[(4-bromophenyl)methyl-[2-(N-(4-chlorophenyl)sulfonylanilino)acetyl]amino]-N-butylpropanamide
CID 100575792
2-[(4-bromophenyl)methyl-[2-(N-(4-chlorophenyl)sulfonylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 133194955
4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52634270
(2R)-2-[(4-bromophenyl)methyl-[2-(N-(4-chlorophenyl)sulfonylanilino)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100675975
N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3959248
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133171923
4-(4-bromo-N-(4-chlorophenyl)sulfonylanilino)butanoic acid
CID 50890766
2-[[2-[N-(benzenesulfonyl)-4-chloroanilino]acetyl]-[(4-bromophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132644042
(2R)-2-[(4-bromophenyl)methyl-[2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100677072
4-[[N-(benzenesulfonyl)anilino]methyl]-N-benzylbenzamide
CID 1100953
4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
CID 71624432

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N,N-diphenylbenzamide?
The IUPAC name of 4-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N,N-diphenylbenzamide (CID 102095863) is 4-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N,N-diphenylbenzamide.
What is the SMILES notation for 4-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N,N-diphenylbenzamide?
The canonical SMILES for 4-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N,N-diphenylbenzamide is O=C(c1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N,N-diphenylbenzamide?
The InChIKey is GDKPIPSECLHKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24BrClN2O3S/c33-26-15-21-31(22-16-26)40(38,39)35(23-24-11-17-27(34)18-12-24)28-19-13-25(14-20-28)32(37)36(29-7-3-1-4-8-29)30-9-5-2-6-10-30/h1-22H,23H2.
What are the key properties of 4-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N,N-diphenylbenzamide?
4-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N,N-diphenylbenzamide has a molecular weight of 631.98 g/mol, XLogP of 8.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N,N-diphenylbenzamide is sourced from PubChem (CID 102095863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).