N-(1-chlorocyclopropyl)sulfonyl-4-(2-oxoimidazolidin-1-yl)benzamide

C13H14ClN3O4S — CID 126834041

IUPACN-(1-chlorocyclopropyl)sulfonyl-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESO=C(NS(=O)(=O)C1(Cl)CC1)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C13H14ClN3O4S/c14-13(5-6-13)22(20,21)16-11(18)9-1-3-10(4-2-9)17-8-7-15-12(17)19/h1-4H,5-8H2,(H,15,19)(H,16,18)
InChIKeyLOZQZGRCKKKKID-UHFFFAOYSA-N
MW343.79 g/mol
LogP1.00
Rot. Bonds4

About N-(1-chlorocyclopropyl)sulfonyl-4-(2-oxoimidazolidin-1-yl)benzamide

N-(1-chlorocyclopropyl)sulfonyl-4-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 126834041) has the molecular formula C13H14ClN3O4S and a molecular weight of 343.79 g/mol. Its IUPAC name is N-(1-chlorocyclopropyl)sulfonyl-4-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-chlorocyclopropyl)sulfonyl-4-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID126834041
Molecular FormulaC13H14ClN3O4S
Molecular Weight343.79 g/mol
Exact Mass343.04
IUPAC NameN-(1-chlorocyclopropyl)sulfonyl-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESO=C(NS(=O)(=O)C1(Cl)CC1)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C13H14ClN3O4S/c14-13(5-6-13)22(20,21)16-11(18)9-1-3-10(4-2-9)17-8-7-15-12(17)19/h1-4H,5-8H2,(H,15,19)(H,16,18)
InChIKeyLOZQZGRCKKKKID-UHFFFAOYSA-N
XLogP1.00
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120539085
4-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51299854
N-(2,6-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 110857589
N-(2-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 46687823
(2S)-3-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid
CID 119360751
N-(3,4-difluorophenyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51298991
4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 78831513
N-[[2-(hydroxymethyl)phenyl]methyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 71883331
7-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]heptanoic acid
CID 119227169
N-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 119497450
2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 138999557
(2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid
CID 119362177

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorocyclopropyl)sulfonyl-4-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-(1-chlorocyclopropyl)sulfonyl-4-(2-oxoimidazolidin-1-yl)benzamide (CID 126834041) is N-(1-chlorocyclopropyl)sulfonyl-4-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-(1-chlorocyclopropyl)sulfonyl-4-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-(1-chlorocyclopropyl)sulfonyl-4-(2-oxoimidazolidin-1-yl)benzamide is O=C(NS(=O)(=O)C1(Cl)CC1)c1ccc(N2CCNC2=O)cc1.
What is the InChIKey of N-(1-chlorocyclopropyl)sulfonyl-4-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is LOZQZGRCKKKKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O4S/c14-13(5-6-13)22(20,21)16-11(18)9-1-3-10(4-2-9)17-8-7-15-12(17)19/h1-4H,5-8H2,(H,15,19)(H,16,18).
What are the key properties of N-(1-chlorocyclopropyl)sulfonyl-4-(2-oxoimidazolidin-1-yl)benzamide?
N-(1-chlorocyclopropyl)sulfonyl-4-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 343.79 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorocyclopropyl)sulfonyl-4-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 126834041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).