4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide

C12H15ClN4O2S — CID 61479552

IUPAC4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H15ClN4O2S/c1-9(7-17-5-4-15-8-17)16-20(18,19)12-3-2-10(14)6-11(12)13/h2-6,8-9,16H,7,14H2,1H3
InChIKeyRXYZGXQFARMBEZ-UHFFFAOYSA-N
MW314.80 g/mol
LogP1.49
Rot. Bonds5

About 4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide

4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 61479552) has the molecular formula C12H15ClN4O2S and a molecular weight of 314.80 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID61479552
Molecular FormulaC12H15ClN4O2S
Molecular Weight314.80 g/mol
Exact Mass314.06
IUPAC Name4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H15ClN4O2S/c1-9(7-17-5-4-15-8-17)16-20(18,19)12-3-2-10(14)6-11(12)13/h2-6,8-9,16H,7,14H2,1H3
InChIKeyRXYZGXQFARMBEZ-UHFFFAOYSA-N
XLogP1.49
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479509
2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479287
3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 63322492
4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372042
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479595
2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 81242155
1-[2-(sulfamoylamino)propyl]imidazole
CID 112686375
4-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-methoxybenzenesulfonamide
CID 81440827
4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61480807
N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide
CID 62152924
4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523987
2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide
CID 94024873

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide (CID 61479552) is 4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide is CC(Cn1ccnc1)NS(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is RXYZGXQFARMBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S/c1-9(7-17-5-4-15-8-17)16-20(18,19)12-3-2-10(14)6-11(12)13/h2-6,8-9,16H,7,14H2,1H3.
What are the key properties of 4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 314.80 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61479552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).