N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide

C14H20N4O2S — CID 62153349

IUPACN-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C14H20N4O2S/c1-2-7-16-13-5-3-4-6-14(13)21(19,20)17-9-11-18-10-8-15-12-18/h3-6,8,10,12,16-17H,2,7,9,11H2,1H3
InChIKeyJUZPVZJZOWHWIX-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.68
Rot. Bonds8

About N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide

N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide (PubChem CID 62153349) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide
PubChem CID62153349
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)NCCn1ccnc1
InChIInChI=1S/C14H20N4O2S/c1-2-7-16-13-5-3-4-6-14(13)21(19,20)17-9-11-18-10-8-15-12-18/h3-6,8,10,12,16-17H,2,7,9,11H2,1H3
InChIKeyJUZPVZJZOWHWIX-UHFFFAOYSA-N
XLogP1.68
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide
CID 61325529
2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide
CID 61326146
3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide
CID 39622822
N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62151053
2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 3794536
5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61326120
2-(difluoromethylsulfonyl)-N-(3-imidazol-1-ylpropyl)aniline
CID 43455408
2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
CID 63295525
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide
CID 103304330
5-(aminomethyl)-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018079
2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325096
3-(2-imidazol-1-ylethylsulfamoyl)-4-methylbenzoic acid
CID 60681289

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide (CID 62153349) is N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide is CCCNc1ccccc1S(=O)(=O)NCCn1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide?
The InChIKey is JUZPVZJZOWHWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-2-7-16-13-5-3-4-6-14(13)21(19,20)17-9-11-18-10-8-15-12-18/h3-6,8,10,12,16-17H,2,7,9,11H2,1H3.
What are the key properties of N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide?
N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide is sourced from PubChem (CID 62153349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).