5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide

C30H27Cl2N3O3S — CID 4192101

IUPAC5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H27Cl2N3O3S/c31-25-12-14-26(15-13-25)33-39(37,38)28-21-24(11-16-27(28)32)30(36)35-19-17-34(18-20-35)29(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-16,21,29,33H,17-20H2
InChIKeyQDEXTRMOYPERFT-UHFFFAOYSA-N
MW580.54 g/mol
LogP6.34
Rot. Bonds7

About 5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide

5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide (PubChem CID 4192101) has the molecular formula C30H27Cl2N3O3S and a molecular weight of 580.54 g/mol. Its IUPAC name is 5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
PubChem CID4192101
Molecular FormulaC30H27Cl2N3O3S
Molecular Weight580.54 g/mol
Exact Mass579.12
IUPAC Name5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H27Cl2N3O3S/c31-25-12-14-26(15-13-25)33-39(37,38)28-21-24(11-16-27(28)32)30(36)35-19-17-34(18-20-35)29(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-16,21,29,33H,17-20H2
InChIKeyQDEXTRMOYPERFT-UHFFFAOYSA-N
XLogP6.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.54
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 2330006
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 2353026
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 2972888
methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 55350196
2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 55347547
2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 24539688
5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 1266192
[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 92769694
2-chloro-N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 2986770
N-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide
CID 92677391
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
1-(4-benzhydrylpiperazin-1-yl)-2-(4-chloroanilino)ethanone
CID 23649221

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide?
The IUPAC name of 5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide (CID 4192101) is 5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide is O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide?
The InChIKey is QDEXTRMOYPERFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Cl2N3O3S/c31-25-12-14-26(15-13-25)33-39(37,38)28-21-24(11-16-27(28)32)30(36)35-19-17-34(18-20-35)29(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-16,21,29,33H,17-20H2.
What are the key properties of 5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide?
5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide has a molecular weight of 580.54 g/mol, XLogP of 6.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 4192101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).