4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide

C12H19N3O4S2 — CID 166308941

IUPAC4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
SMILESCN1CC[C@@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)C1
InChIInChI=1S/C12H19N3O4S2/c1-15-8-7-11(9-15)14-21(18,19)12-5-3-10(4-6-12)13-20(2,16)17/h3-6,11,13-14H,7-9H2,1-2H3/t11-/m1/s1
InChIKeyLHCRZAYGNOVTQS-LLVKDONJSA-N
MW333.44 g/mol
LogP0.04
Rot. Bonds5

About 4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide

4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide (PubChem CID 166308941) has the molecular formula C12H19N3O4S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
PubChem CID166308941
Molecular FormulaC12H19N3O4S2
Molecular Weight333.44 g/mol
Exact Mass333.08
IUPAC Name4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
SMILESCN1CC[C@@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)C1
InChIInChI=1S/C12H19N3O4S2/c1-15-8-7-11(9-15)14-21(18,19)12-5-3-10(4-6-12)13-20(2,16)17/h3-6,11,13-14H,7-9H2,1-2H3/t11-/m1/s1
InChIKeyLHCRZAYGNOVTQS-LLVKDONJSA-N
XLogP0.04
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949736
4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465032
4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465004
N-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]benzenesulfonamide
CID 61211616
4-[2-(methylamino)ethoxy]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052280
2-[4-[(1-methylpyrrolidin-3-yl)sulfamoyl]phenyl]ethanethioamide
CID 79186151
3-amino-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949568
4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 61222384
1-methyl-N-(1-methylpyrrolidin-3-yl)-2-oxo-3H-indole-5-sulfonamide
CID 110737671
3-amino-N-(1-methylpyrrolidin-3-yl)-4-nitrobenzenesulfonamide
CID 82845629
4-fluoro-3-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052530
N-(1-methylpiperidin-4-yl)-4-nitrobenzenesulfonamide
CID 22772515

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide (CID 166308941) is 4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide is CN1CC[C@@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)C1.
What is the InChIKey of 4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is LHCRZAYGNOVTQS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19N3O4S2/c1-15-8-7-11(9-15)14-21(18,19)12-5-3-10(4-6-12)13-20(2,16)17/h3-6,11,13-14H,7-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide?
4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 333.44 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 166308941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).