N-[2-(azepan-1-yl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide

C12H21ClN4O2S — CID 71897359

IUPACN-[2-(azepan-1-yl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCN2CCCCCC2)c1Cl
InChIInChI=1S/C12H21ClN4O2S/c1-16-10-14-12(11(16)13)20(18,19)15-6-9-17-7-4-2-3-5-8-17/h10,15H,2-9H2,1H3
InChIKeyCXQIKMMBFUCQDR-UHFFFAOYSA-N
MW320.85 g/mol
LogP1.23
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide

N-[2-(azepan-1-yl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide (PubChem CID 71897359) has the molecular formula C12H21ClN4O2S and a molecular weight of 320.85 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide
PubChem CID71897359
Molecular FormulaC12H21ClN4O2S
Molecular Weight320.85 g/mol
Exact Mass320.11
IUPAC NameN-[2-(azepan-1-yl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCN2CCCCCC2)c1Cl
InChIInChI=1S/C12H21ClN4O2S/c1-16-10-14-12(11(16)13)20(18,19)15-6-9-17-7-4-2-3-5-8-17/h10,15H,2-9H2,1H3
InChIKeyCXQIKMMBFUCQDR-UHFFFAOYSA-N
XLogP1.23
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole
CID 35289039
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CID 43415221
5-chloro-1-methyl-N-[3-(2-oxoazepan-1-yl)propyl]imidazole-4-sulfonamide
CID 45811112
5-chloro-1-methyl-N-(3-pyrrolidin-1-ylpropyl)imidazole-4-sulfonamide
CID 47164365
5-chloro-1-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]imidazole-4-sulfonamide
CID 51115062
N-[3-(azepan-1-yl)propyl]-5-chloro-1-methylimidazole-4-sulfonamide
CID 53499985
5-chloro-N-cyclopentyl-1-methyl-1H-imidazole-4-sulfonamide
CID 43415266
5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]-1H-imidazole-4-sulfonamide
CID 51683231
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43430604
5-chloro-1-methyl-N-(2-oxoazepan-3-yl)imidazole-4-sulfonamide
CID 45821777
5-chloro-1-methyl-N-(5-morpholin-4-ylpentyl)imidazole-4-sulfonamide
CID 3071464
5-chloro-1-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide
CID 79040358

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide (CID 71897359) is N-[2-(azepan-1-yl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCN2CCCCCC2)c1Cl.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide?
The InChIKey is CXQIKMMBFUCQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2S/c1-16-10-14-12(11(16)13)20(18,19)15-6-9-17-7-4-2-3-5-8-17/h10,15H,2-9H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide?
N-[2-(azepan-1-yl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide has a molecular weight of 320.85 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-5-chloro-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 71897359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).