4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide

C14H23N3O2S — CID 79541051

IUPAC4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(C)CC1CCCN1
InChIInChI=1S/C14H23N3O2S/c1-10-5-6-13(20(15,18)19)9-14(10)17-11(2)8-12-4-3-7-16-12/h5-6,9,11-12,16-17H,3-4,7-8H2,1-2H3,(H2,15,18,19)
InChIKeyGNHRCDCWOXPKAK-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.58
Rot. Bonds5

About 4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide

4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide (PubChem CID 79541051) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide
PubChem CID79541051
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(C)CC1CCCN1
InChIInChI=1S/C14H23N3O2S/c1-10-5-6-13(20(15,18)19)9-14(10)17-11(2)8-12-4-3-7-16-12/h5-6,9,11-12,16-17H,3-4,7-8H2,1-2H3,(H2,15,18,19)
InChIKeyGNHRCDCWOXPKAK-UHFFFAOYSA-N
XLogP1.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide
CID 79538042
2,6-dimethyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol
CID 79541859
3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide
CID 62536999
N-(2-chloro-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61365224
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119689597
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
2-bromo-4-nitro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540045
4-amino-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
CID 82899019
3-(heptan-2-ylamino)-4-methylbenzenesulfonamide
CID 43744136
4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 81292262
2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107633006
N-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide
CID 79537742

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide?
The IUPAC name of 4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide (CID 79541051) is 4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1NC(C)CC1CCCN1.
What is the InChIKey of 4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide?
The InChIKey is GNHRCDCWOXPKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10-5-6-13(20(15,18)19)9-14(10)17-11(2)8-12-4-3-7-16-12/h5-6,9,11-12,16-17H,3-4,7-8H2,1-2H3,(H2,15,18,19).
What are the key properties of 4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide?
4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 79541051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).