4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide

C17H26N4O5S2 — CID 32505338

IUPAC4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C17H26N4O5S2/c1-13-4-7-15(27(23,24)18-14-5-6-14)12-16(13)17(22)20-8-10-21(11-9-20)28(25,26)19(2)3/h4,7,12,14,18H,5-6,8-11H2,1-3H3
InChIKeyIJKPEQYGNVGBDR-UHFFFAOYSA-N
MW430.55 g/mol
LogP-0.00
Rot. Bonds6

About 4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide

4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 32505338) has the molecular formula C17H26N4O5S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID32505338
Molecular FormulaC17H26N4O5S2
Molecular Weight430.55 g/mol
Exact Mass430.13
IUPAC Name4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C17H26N4O5S2/c1-13-4-7-15(27(23,24)18-14-5-6-14)12-16(13)17(22)20-8-10-21(11-9-20)28(25,26)19(2)3/h4,7,12,14,18H,5-6,8-11H2,1-3H3
InChIKeyIJKPEQYGNVGBDR-UHFFFAOYSA-N
XLogP-0.00
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 49070882
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-cyclopropyl-4-methylbenzenesulfonamide
CID 120814473
N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119490233
N-cyclopropyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 35131778
N-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30536533
N-cyclopropyl-4-methyl-3-[4-(2-phenylethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55489639
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-4-methylbenzenesulfonamide
CID 119594513
N-cyclopropyl-3-(2-ethyl-4-methylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 154759478
N,N-dimethyl-4-(2-methylbenzoyl)-1,4-diazepane-1-sulfonamide
CID 110798257
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
CID 18141492
3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 43009938

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide (CID 32505338) is 4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is IJKPEQYGNVGBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O5S2/c1-13-4-7-15(27(23,24)18-14-5-6-14)12-16(13)17(22)20-8-10-21(11-9-20)28(25,26)19(2)3/h4,7,12,14,18H,5-6,8-11H2,1-3H3.
What are the key properties of 4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 430.55 g/mol, XLogP of -0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 32505338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).