N-[4-(acetylsulfamoyl)phenyl]-1-cyclopropylsulfonylazetidine-3-carboxamide

C15H19N3O6S2 — CID 90513431

IUPACN-[4-(acetylsulfamoyl)phenyl]-1-cyclopropylsulfonylazetidine-3-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)cc1
InChIInChI=1S/C15H19N3O6S2/c1-10(19)17-25(21,22)13-4-2-12(3-5-13)16-15(20)11-8-18(9-11)26(23,24)14-6-7-14/h2-5,11,14H,6-9H2,1H3,(H,16,20)(H,17,19)
InChIKeyNMSMRDDDTXMENS-UHFFFAOYSA-N
MW401.47 g/mol
LogP-0.13
Rot. Bonds6

About N-[4-(acetylsulfamoyl)phenyl]-1-cyclopropylsulfonylazetidine-3-carboxamide

N-[4-(acetylsulfamoyl)phenyl]-1-cyclopropylsulfonylazetidine-3-carboxamide (PubChem CID 90513431) has the molecular formula C15H19N3O6S2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-1-cyclopropylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-1-cyclopropylsulfonylazetidine-3-carboxamide
PubChem CID90513431
Molecular FormulaC15H19N3O6S2
Molecular Weight401.47 g/mol
Exact Mass401.07
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-1-cyclopropylsulfonylazetidine-3-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)cc1
InChIInChI=1S/C15H19N3O6S2/c1-10(19)17-25(21,22)13-4-2-12(3-5-13)16-15(20)11-8-18(9-11)26(23,24)14-6-7-14/h2-5,11,14H,6-9H2,1H3,(H,16,20)(H,17,19)
InChIKeyNMSMRDDDTXMENS-UHFFFAOYSA-N
XLogP-0.13
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide
CID 90513573
1-cyclopropylsulfonyl-N-(4-methylsulfanylphenyl)azetidine-3-carboxamide
CID 90513272
1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide
CID 90513450
(1S,6R)-6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1009398
(1R,6S)-6-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6959118
N-[4-(acetylsulfamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118694
(2R)-N-[4-(acetylsulfamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2095948
(3R)-N-[4-(acetylsulfamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 39313837
(1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 51802099
(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
CID 3474503
N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
CID 4199591

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-1-cyclopropylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-1-cyclopropylsulfonylazetidine-3-carboxamide (CID 90513431) is N-[4-(acetylsulfamoyl)phenyl]-1-cyclopropylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-1-cyclopropylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-1-cyclopropylsulfonylazetidine-3-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-1-cyclopropylsulfonylazetidine-3-carboxamide?
The InChIKey is NMSMRDDDTXMENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6S2/c1-10(19)17-25(21,22)13-4-2-12(3-5-13)16-15(20)11-8-18(9-11)26(23,24)14-6-7-14/h2-5,11,14H,6-9H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-1-cyclopropylsulfonylazetidine-3-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-1-cyclopropylsulfonylazetidine-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-1-cyclopropylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 90513431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).