5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide

C10H15ClN4O3S — CID 51891623

IUPAC5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N[C@@H]2CCCCNC2=O)c1Cl
InChIInChI=1S/C10H15ClN4O3S/c1-15-6-13-10(8(15)11)19(17,18)14-7-4-2-3-5-12-9(7)16/h6-7,14H,2-5H2,1H3,(H,12,16)/t7-/m1/s1
InChIKeyKVMDRMFAMCZVME-SSDOTTSWSA-N
MW306.78 g/mol
LogP0.02
Rot. Bonds3

About 5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide (PubChem CID 51891623) has the molecular formula C10H15ClN4O3S and a molecular weight of 306.78 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide
PubChem CID51891623
Molecular FormulaC10H15ClN4O3S
Molecular Weight306.78 g/mol
Exact Mass306.06
IUPAC Name5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N[C@@H]2CCCCNC2=O)c1Cl
InChIInChI=1S/C10H15ClN4O3S/c1-15-6-13-10(8(15)11)19(17,18)14-7-4-2-3-5-12-9(7)16/h6-7,14H,2-5H2,1H3,(H,12,16)/t7-/m1/s1
InChIKeyKVMDRMFAMCZVME-SSDOTTSWSA-N
XLogP0.02
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide (CID 51891623) is 5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)N[C@@H]2CCCCNC2=O)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide?
The InChIKey is KVMDRMFAMCZVME-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15ClN4O3S/c1-15-6-13-10(8(15)11)19(17,18)14-7-4-2-3-5-12-9(7)16/h6-7,14H,2-5H2,1H3,(H,12,16)/t7-/m1/s1.
What are the key properties of 5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide has a molecular weight of 306.78 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 51891623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).