3-methyl-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide

C18H21N3O3S — CID 110678070

IUPAC3-methyl-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCc1cc(C(=O)N2CCN(c3ccccc3)CC2)cc(S(N)(=O)=O)c1
InChIInChI=1S/C18H21N3O3S/c1-14-11-15(13-17(12-14)25(19,23)24)18(22)21-9-7-20(8-10-21)16-5-3-2-4-6-16/h2-6,11-13H,7-10H2,1H3,(H2,19,23,24)
InChIKeyFOPPAAZYTZUVQG-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.60
Rot. Bonds3

About 3-methyl-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide

3-methyl-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 110678070) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-methyl-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID110678070
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name3-methyl-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCc1cc(C(=O)N2CCN(c3ccccc3)CC2)cc(S(N)(=O)=O)c1
InChIInChI=1S/C18H21N3O3S/c1-14-11-15(13-17(12-14)25(19,23)24)18(22)21-9-7-20(8-10-21)16-5-3-2-4-6-16/h2-6,11-13H,7-10H2,1H3,(H2,19,23,24)
InChIKeyFOPPAAZYTZUVQG-UHFFFAOYSA-N
XLogP1.60
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-(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

3-(4-benzylpiperazine-1-carbonyl)-5-methylbenzenesulfonamide
CID 110678069
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylbenzenesulfonamide
CID 110678059
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
(4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 18069676
(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 4806675
4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide
CID 146048142
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-phenylmethanone
CID 4604357
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9496000
N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17489391
(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 807436
(4-methyl-3-piperidin-1-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1070097
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 3-methyl-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide (CID 110678070) is 3-methyl-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 3-methyl-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide is Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-methyl-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is FOPPAAZYTZUVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-14-11-15(13-17(12-14)25(19,23)24)18(22)21-9-7-20(8-10-21)16-5-3-2-4-6-16/h2-6,11-13H,7-10H2,1H3,(H2,19,23,24).
What are the key properties of 3-methyl-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
3-methyl-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 110678070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).