N-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide

C28H33N3O3S — CID 53257718

IUPACN-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(c4ccccc4)CC3)c2)cc1
InChIInChI=1S/C28H33N3O3S/c1-3-4-8-23-12-14-24(15-13-23)29-35(33,34)26-16-11-22(2)27(21-26)28(32)31-19-17-30(18-20-31)25-9-6-5-7-10-25/h5-7,9-16,21,29H,3-4,8,17-20H2,1-2H3
InChIKeyWZGKDAQBZCIFBG-UHFFFAOYSA-N
MW491.66 g/mol
LogP5.10
Rot. Bonds8

About N-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide

N-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 53257718) has the molecular formula C28H33N3O3S and a molecular weight of 491.66 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID53257718
Molecular FormulaC28H33N3O3S
Molecular Weight491.66 g/mol
Exact Mass491.22
IUPAC NameN-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(c4ccccc4)CC3)c2)cc1
InChIInChI=1S/C28H33N3O3S/c1-3-4-8-23-12-14-24(15-13-23)29-35(33,34)26-16-11-22(2)27(21-26)28(32)31-19-17-30(18-20-31)25-9-6-5-7-10-25/h5-7,9-16,21,29H,3-4,8,17-20H2,1-2H3
InChIKeyWZGKDAQBZCIFBG-UHFFFAOYSA-N
XLogP5.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.66
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide 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-butylphenyl)-4-methyl-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 53258539
4-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 71249741
5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate
CID 7040597
N-[4-[2-(dimethylamino)ethyl]phenyl]-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 66580425
3-(4-benzylpiperazine-1-carbonyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 26535449
[5-[(4-butylphenyl)methylsulfonyl]-2-methylphenyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 157085617
3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 55645981
[5-[(4-butylphenyl)methylsulfonyl]-2-methylphenyl]-[4-(2-phenylphenyl)piperazin-1-yl]methanone
CID 153185001
5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 2133735
3-(4-acetylpiperazine-1-carbonyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42992454
[5-(azepan-1-ylsulfonyl)-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 28590325
[5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 152814620

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide (CID 53257718) is N-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide is CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCN(c4ccccc4)CC3)c2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is WZGKDAQBZCIFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3S/c1-3-4-8-23-12-14-24(15-13-23)29-35(33,34)26-16-11-22(2)27(21-26)28(32)31-19-17-30(18-20-31)25-9-6-5-7-10-25/h5-7,9-16,21,29H,3-4,8,17-20H2,1-2H3.
What are the key properties of N-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
N-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 491.66 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 53257718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).