2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide

C14H20N4O2S — CID 61482270

IUPAC2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide
SMILESCC(Cn1ccnc1)Nc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H20N4O2S/c1-12(10-18-9-8-15-11-18)16-13-6-4-5-7-14(13)21(19,20)17(2)3/h4-9,11-12,16H,10H2,1-3H3
InChIKeyHBCLSTKNCKSLRI-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.63
Rot. Bonds6

About 2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide

2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 61482270) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID61482270
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide
SMILESCC(Cn1ccnc1)Nc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H20N4O2S/c1-12(10-18-9-8-15-11-18)16-13-6-4-5-7-14(13)21(19,20)17(2)3/h4-9,11-12,16H,10H2,1-3H3
InChIKeyHBCLSTKNCKSLRI-UHFFFAOYSA-N
XLogP1.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide
CID 61326146
N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide
CID 62152924
2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 81242155
3-amino-4-(1-imidazol-1-ylpropan-2-ylamino)benzenesulfonamide
CID 61479680
3-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-nitroaniline
CID 80896955
4-(1-imidazol-1-ylpropan-2-ylamino)-1-methylquinolin-2-one
CID 81243651
1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 47253391
2-(but-3-yn-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 114417934
2-(difluoromethylsulfonyl)-N-(3-imidazol-1-ylpropyl)aniline
CID 43455408
N-(1-imidazol-1-ylpropan-2-yl)-2-methyl-4-nitroaniline
CID 61482429
N-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide
CID 103305515
N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904200

Frequently Asked Questions

What is the IUPAC name of 2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide (CID 61482270) is 2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide is CC(Cn1ccnc1)Nc1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is HBCLSTKNCKSLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-12(10-18-9-8-15-11-18)16-13-6-4-5-7-14(13)21(19,20)17(2)3/h4-9,11-12,16H,10H2,1-3H3.
What are the key properties of 2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 61482270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).