2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide

C12H20N4O2S — CID 80645856

IUPAC2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCN(C)CC2)cc1N
InChIInChI=1S/C12H20N4O2S/c1-14-19(17,18)12-4-3-10(9-11(12)13)16-7-5-15(2)6-8-16/h3-4,9,14H,5-8,13H2,1-2H3
InChIKeyDGUUMOVRKOOWAP-UHFFFAOYSA-N
MW284.38 g/mol
LogP-0.07
Rot. Bonds3

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

2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide (PubChem CID 80645856) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
PubChem CID80645856
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCN(C)CC2)cc1N
InChIInChI=1S/C12H20N4O2S/c1-14-19(17,18)12-4-3-10(9-11(12)13)16-7-5-15(2)6-8-16/h3-4,9,14H,5-8,13H2,1-2H3
InChIKeyDGUUMOVRKOOWAP-UHFFFAOYSA-N
XLogP-0.07
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 5-0.07
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-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 80646144
2-amino-N-methyl-4-(4-propan-2-ylpiperazin-1-yl)benzenesulfonamide
CID 80641354
5-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylaniline
CID 97046861
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
2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)aniline
CID 10269278
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
CID 80645527
2-ethyl-5-(4-methylpiperazin-1-yl)aniline
CID 39244247
2-amino-N-methyl-4-(2,2,6-trimethylmorpholin-4-yl)benzenesulfonamide
CID 80640866
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-methylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide (CID 80645856) is 2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCN(C)CC2)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is DGUUMOVRKOOWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-14-19(17,18)12-4-3-10(9-11(12)13)16-7-5-15(2)6-8-16/h3-4,9,14H,5-8,13H2,1-2H3.
What are the key properties of 2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide?
2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of -0.07, 3 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-methylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 80645856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).