2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-N-(6-oxohexyl)propanamide;hydrochloride

C18H24Cl2N4O4S — CID 174365161

IUPAC2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-N-(6-oxohexyl)propanamide;hydrochloride
SMILESCl.O=CCCCCCNC(=O)C(Cn1ccnc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN4O4S.ClH/c19-15-5-7-16(8-6-15)28(26,27)22-17(13-23-11-10-20-14-23)18(25)21-9-3-1-2-4-12-24;/h5-8,10-12,14,17,22H,1-4,9,13H2,(H,21,25);1H
InChIKeyBXSIYAPVWMYYLR-UHFFFAOYSA-N
MW463.39 g/mol
LogP2.18
Rot. Bonds12

About 2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-N-(6-oxohexyl)propanamide;hydrochloride

2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-N-(6-oxohexyl)propanamide;hydrochloride (PubChem CID 174365161) has the molecular formula C18H24Cl2N4O4S and a molecular weight of 463.39 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-N-(6-oxohexyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-N-(6-oxohexyl)propanamide;hydrochloride
PubChem CID174365161
Molecular FormulaC18H24Cl2N4O4S
Molecular Weight463.39 g/mol
Exact Mass462.09
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-N-(6-oxohexyl)propanamide;hydrochloride
SMILESCl.O=CCCCCCNC(=O)C(Cn1ccnc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN4O4S.ClH/c19-15-5-7-16(8-6-15)28(26,27)22-17(13-23-11-10-20-14-23)18(25)21-9-3-1-2-4-12-24;/h5-8,10-12,14,17,22H,1-4,9,13H2,(H,21,25);1H
InChIKeyBXSIYAPVWMYYLR-UHFFFAOYSA-N
XLogP2.18
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-ylpropanoyl]amino]heptanoic acid;hydrochloride
CID 19032894
5-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-ylpropanoyl]amino]pentanoic acid;hydrochloride
CID 19032788
6-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-ylpropanoyl]amino]hexanoic acid
CID 19032816
5-[[2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid;hydrochloride
CID 19032984
(2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide
CID 124507638
5-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]pentanoic acid
CID 67706916
2-[4-[[2-[(4-fluorophenyl)sulfonylamino]-3-imidazol-1-ylpropanoyl]amino]phenyl]acetic acid
CID 19032831
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
CID 30143287
methyl 4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yloxypropanoyl]amino]butanoate
CID 67706825
(2S)-N-butyl-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
CID 40601003
2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide
CID 17225113
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394130

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-N-(6-oxohexyl)propanamide;hydrochloride?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-N-(6-oxohexyl)propanamide;hydrochloride (CID 174365161) is 2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-N-(6-oxohexyl)propanamide;hydrochloride.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-N-(6-oxohexyl)propanamide;hydrochloride?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-N-(6-oxohexyl)propanamide;hydrochloride is Cl.O=CCCCCCNC(=O)C(Cn1ccnc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-N-(6-oxohexyl)propanamide;hydrochloride?
The InChIKey is BXSIYAPVWMYYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O4S.ClH/c19-15-5-7-16(8-6-15)28(26,27)22-17(13-23-11-10-20-14-23)18(25)21-9-3-1-2-4-12-24;/h5-8,10-12,14,17,22H,1-4,9,13H2,(H,21,25);1H.
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-N-(6-oxohexyl)propanamide;hydrochloride?
2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-N-(6-oxohexyl)propanamide;hydrochloride has a molecular weight of 463.39 g/mol, XLogP of 2.18, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-N-(6-oxohexyl)propanamide;hydrochloride is sourced from PubChem (CID 174365161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).