3-(4-benzylpiperazine-1-carbonyl)-5-methylbenzenesulfonamide

C19H23N3O3S — CID 110678069

IUPAC3-(4-benzylpiperazine-1-carbonyl)-5-methylbenzenesulfonamide
SMILESCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)cc(S(N)(=O)=O)c1
InChIInChI=1S/C19H23N3O3S/c1-15-11-17(13-18(12-15)26(20,24)25)19(23)22-9-7-21(8-10-22)14-16-5-3-2-4-6-16/h2-6,11-13H,7-10,14H2,1H3,(H2,20,24,25)
InChIKeyKZOIRPPRMHNVSO-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.60
Rot. Bonds4

About 3-(4-benzylpiperazine-1-carbonyl)-5-methylbenzenesulfonamide

3-(4-benzylpiperazine-1-carbonyl)-5-methylbenzenesulfonamide (PubChem CID 110678069) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-(4-benzylpiperazine-1-carbonyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(4-benzylpiperazine-1-carbonyl)-5-methylbenzenesulfonamide
PubChem CID110678069
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name3-(4-benzylpiperazine-1-carbonyl)-5-methylbenzenesulfonamide
SMILESCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)cc(S(N)(=O)=O)c1
InChIInChI=1S/C19H23N3O3S/c1-15-11-17(13-18(12-15)26(20,24)25)19(23)22-9-7-21(8-10-22)14-16-5-3-2-4-6-16/h2-6,11-13H,7-10,14H2,1H3,(H2,20,24,25)
InChIKeyKZOIRPPRMHNVSO-UHFFFAOYSA-N
XLogP1.60
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 110678070
4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide
CID 39191268
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methylbenzenesulfonamide
CID 110678059
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787
(4-benzylpiperazin-1-yl)-[3-bromo-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 4000795
(4-benzylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone
CID 55752420
3-(4-benzylpiperazine-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 27671245
[3-(benzenesulfonylmethyl)phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 46492077
[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone
CID 29262036
(3-aminophenyl)-(4-benzylpiperazin-1-yl)methanone;dihydrochloride
CID 119826758
N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 27671578

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazine-1-carbonyl)-5-methylbenzenesulfonamide?
The IUPAC name of 3-(4-benzylpiperazine-1-carbonyl)-5-methylbenzenesulfonamide (CID 110678069) is 3-(4-benzylpiperazine-1-carbonyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-(4-benzylpiperazine-1-carbonyl)-5-methylbenzenesulfonamide?
The canonical SMILES for 3-(4-benzylpiperazine-1-carbonyl)-5-methylbenzenesulfonamide is Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-(4-benzylpiperazine-1-carbonyl)-5-methylbenzenesulfonamide?
The InChIKey is KZOIRPPRMHNVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15-11-17(13-18(12-15)26(20,24)25)19(23)22-9-7-21(8-10-22)14-16-5-3-2-4-6-16/h2-6,11-13H,7-10,14H2,1H3,(H2,20,24,25).
What are the key properties of 3-(4-benzylpiperazine-1-carbonyl)-5-methylbenzenesulfonamide?
3-(4-benzylpiperazine-1-carbonyl)-5-methylbenzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazine-1-carbonyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 110678069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).