4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzenesulfonamide

C15H21N3O2S — CID 66412336

IUPAC4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzenesulfonamide
SMILESCCCn1cccc1CNc1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C15H21N3O2S/c1-3-8-18-9-4-5-13(18)11-17-15-10-14(21(16,19)20)7-6-12(15)2/h4-7,9-10,17H,3,8,11H2,1-2H3,(H2,16,19,20)
InChIKeyBEAGDGZMEZEHGT-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.47
Rot. Bonds6

About 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzenesulfonamide

4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzenesulfonamide (PubChem CID 66412336) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzenesulfonamide
PubChem CID66412336
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzenesulfonamide
SMILESCCCn1cccc1CNc1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C15H21N3O2S/c1-3-8-18-9-4-5-13(18)11-17-15-10-14(21(16,19)20)7-6-12(15)2/h4-7,9-10,17H,3,8,11H2,1-2H3,(H2,16,19,20)
InChIKeyBEAGDGZMEZEHGT-UHFFFAOYSA-N
XLogP2.47
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-4-nitro-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 103145004
4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43744201
3-[(1-ethylpyrrol-3-yl)methylamino]-4-methylbenzenesulfonamide
CID 66414175
2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 114254465
5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline
CID 66410961
4-bromo-2-ethyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 81291640
2-bromo-5-chloro-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 81263969
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480538
3-[(2-cyanophenyl)methylamino]-4-methylbenzenesulfonamide
CID 107935920
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-5-methylsulfonylaniline
CID 66410951
3-[(5-cyano-1-methylpyrrol-3-yl)methylamino]-4-methylbenzenesulfonamide
CID 103202996
2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411864

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzenesulfonamide (CID 66412336) is 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzenesulfonamide is CCCn1cccc1CNc1cc(S(N)(=O)=O)ccc1C.
What is the InChIKey of 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzenesulfonamide?
The InChIKey is BEAGDGZMEZEHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-8-18-9-4-5-13(18)11-17-15-10-14(21(16,19)20)7-6-12(15)2/h4-7,9-10,17H,3,8,11H2,1-2H3,(H2,16,19,20).
What are the key properties of 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzenesulfonamide?
4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 66412336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).