N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide

C28H26ClN3O3S2 — CID 2353026

IUPACN-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H26ClN3O3S2/c29-25-15-16-26(36-25)37(34,35)30-24-13-11-23(12-14-24)28(33)32-19-17-31(18-20-32)27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-16,27,30H,17-20H2
InChIKeyZQLVLPJMGWZMOW-UHFFFAOYSA-N
MW552.12 g/mol
LogP5.75
Rot. Bonds7

About N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide

N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 2353026) has the molecular formula C28H26ClN3O3S2 and a molecular weight of 552.12 g/mol. Its IUPAC name is N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
PubChem CID2353026
Molecular FormulaC28H26ClN3O3S2
Molecular Weight552.12 g/mol
Exact Mass551.11
IUPAC NameN-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H26ClN3O3S2/c29-25-15-16-26(36-25)37(34,35)30-24-13-11-23(12-14-24)28(33)32-19-17-31(18-20-32)27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-16,27,30H,17-20H2
InChIKeyZQLVLPJMGWZMOW-UHFFFAOYSA-N
XLogP5.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.12
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 7040890
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 2972888
5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 4192101
4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide
CID 10158784
5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 166202253
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231
N-[4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
CID 46564070
[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 92769694
N-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide
CID 92677391
(4-benzhydrylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 1033393
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-4-chloro-N-methylbenzenesulfonamide
CID 4275208

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide (CID 2353026) is N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide is O=C(c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is ZQLVLPJMGWZMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O3S2/c29-25-15-16-26(36-25)37(34,35)30-24-13-11-23(12-14-24)28(33)32-19-17-31(18-20-32)27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-16,27,30H,17-20H2.
What are the key properties of N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide?
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 552.12 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 2353026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).