N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide

C23H29ClN4O2S — CID 67750369

IUPACN-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide
SMILESCC(C)(NCCCc1ncc(CCNS(=O)(=O)c2ccccc2)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN4O2S/c1-23(2,18-10-12-19(24)13-11-18)26-15-6-9-22-25-17-20(28-22)14-16-27-31(29,30)21-7-4-3-5-8-21/h3-5,7-8,10-13,17,26-27H,6,9,14-16H2,1-2H3,(H,25,28)
InChIKeyJWBGYJODEAHLRR-UHFFFAOYSA-N
MW461.03 g/mol
LogP4.04
Rot. Bonds11

About N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide

N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide (PubChem CID 67750369) has the molecular formula C23H29ClN4O2S and a molecular weight of 461.03 g/mol. Its IUPAC name is N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide
PubChem CID67750369
Molecular FormulaC23H29ClN4O2S
Molecular Weight461.03 g/mol
Exact Mass460.17
IUPAC NameN-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide
SMILESCC(C)(NCCCc1ncc(CCNS(=O)(=O)c2ccccc2)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN4O2S/c1-23(2,18-10-12-19(24)13-11-18)26-15-6-9-22-25-17-20(28-22)14-16-27-31(29,30)21-7-4-3-5-8-21/h3-5,7-8,10-13,17,26-27H,6,9,14-16H2,1-2H3,(H,25,28)
InChIKeyJWBGYJODEAHLRR-UHFFFAOYSA-N
XLogP4.04
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.03
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666564
3-(5-benzyl-1H-imidazol-2-yl)-N-[2-(4-chlorophenyl)propan-2-yl]propanamide
CID 67750367
acetonitrile;4-chloro-N-(2-phenylethyl)benzenesulfonamide;hydrate
CID 174293454
N-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide
CID 47364182
4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide
CID 110440463
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
CID 60905954
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
5-[2-(4-chlorophenyl)propan-2-ylamino]pentan-1-ol
CID 111496341
N-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide
CID 69331280
N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 110660639
3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666567

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide (CID 67750369) is N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide is CC(C)(NCCCc1ncc(CCNS(=O)(=O)c2ccccc2)[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide?
The InChIKey is JWBGYJODEAHLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2S/c1-23(2,18-10-12-19(24)13-11-18)26-15-6-9-22-25-17-20(28-22)14-16-27-31(29,30)21-7-4-3-5-8-21/h3-5,7-8,10-13,17,26-27H,6,9,14-16H2,1-2H3,(H,25,28).
What are the key properties of N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide?
N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide has a molecular weight of 461.03 g/mol, XLogP of 4.04, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-[2-(4-chlorophenyl)propan-2-ylamino]propyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 67750369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).