2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide

C14H24N4O2S — CID 80641354

IUPAC2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCN(C(C)C)CC2)cc1N
InChIInChI=1S/C14H24N4O2S/c1-11(2)17-6-8-18(9-7-17)12-4-5-14(13(15)10-12)21(19,20)16-3/h4-5,10-11,16H,6-9,15H2,1-3H3
InChIKeyGYQBOEPXPNQCCV-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.71
Rot. Bonds4

About 2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide

2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide (PubChem CID 80641354) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide
PubChem CID80641354
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCN(C(C)C)CC2)cc1N
InChIInChI=1S/C14H24N4O2S/c1-11(2)17-6-8-18(9-7-17)12-4-5-14(13(15)10-12)21(19,20)16-3/h4-5,10-11,16H,6-9,15H2,1-3H3
InChIKeyGYQBOEPXPNQCCV-UHFFFAOYSA-N
XLogP0.71
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 80645856
2-amino-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 80646144
2-amino-4-(3,3-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
CID 80645810
2-amino-N-methyl-4-(5-oxo-1,4-diazepan-1-yl)benzenesulfonamide
CID 80646515
2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide
CID 80646358
2-amino-4-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
CID 103355271
5-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylaniline
CID 97046861
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
CID 80645527
2-amino-5-(4-propan-2-ylpiperazin-1-yl)benzoic acid
CID 60989507
2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide
CID 80640866
N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide
CID 901903
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-N-methylbenzenesulfonamide
CID 80641981

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide (CID 80641354) is 2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCN(C(C)C)CC2)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is GYQBOEPXPNQCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-11(2)17-6-8-18(9-7-17)12-4-5-14(13(15)10-12)21(19,20)16-3/h4-5,10-11,16H,6-9,15H2,1-3H3.
What are the key properties of 2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide?
2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 80641354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).