N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide

C19H23N3O3S — CID 2473147

IUPACN-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
SMILESCN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)CC1
InChIInChI=1S/C19H23N3O3S/c1-20-12-14-22(15-13-20)19(23)16-8-10-18(11-9-16)26(24,25)21(2)17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3
InChIKeyKBPXIXLUNXZVCU-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.90
Rot. Bonds4

About N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide

N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide (PubChem CID 2473147) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
PubChem CID2473147
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
SMILESCN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)CC1
InChIInChI=1S/C19H23N3O3S/c1-20-12-14-22(15-13-20)19(23)16-8-10-18(11-9-16)26(24,25)21(2)17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3
InChIKeyKBPXIXLUNXZVCU-UHFFFAOYSA-N
XLogP1.90
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2715498
4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride
CID 119375145
N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-N,4-dimethylbenzenesulfonamide
CID 55646194
N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1107832
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-4-chloro-N-methylbenzenesulfonamide
CID 4275208
4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 55918017
4-chloro-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-N-methylbenzenesulfonamide
CID 2228314
N,4-dimethyl-N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 46533875
N-methyl-N-phenyl-4-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 16938640
N-methyl-4-methylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 28591462
4-[4-[(4-cyanophenyl)methyl]-1,4-diazepane-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 31946147

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide?
The IUPAC name of N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide (CID 2473147) is N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide is CN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)CC1.
What is the InChIKey of N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide?
The InChIKey is KBPXIXLUNXZVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-20-12-14-22(15-13-20)19(23)16-8-10-18(11-9-16)26(24,25)21(2)17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3.
What are the key properties of N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide?
N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2473147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).