benzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate

C14H14ClN3O4S — CID 167857534

IUPACbenzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate
SMILESCc1cc(NS(=O)(=O)NC(=O)OCc2ccccc2)cnc1Cl
InChIInChI=1S/C14H14ClN3O4S/c1-10-7-12(8-16-13(10)15)17-23(20,21)18-14(19)22-9-11-5-3-2-4-6-11/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyFOSWNHFWVVCYBW-UHFFFAOYSA-N
MW355.80 g/mol
LogP2.63
Rot. Bonds5

About benzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate

benzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate (PubChem CID 167857534) has the molecular formula C14H14ClN3O4S and a molecular weight of 355.80 g/mol. Its IUPAC name is benzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate
PubChem CID167857534
Molecular FormulaC14H14ClN3O4S
Molecular Weight355.80 g/mol
Exact Mass355.04
IUPAC Namebenzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate
SMILESCc1cc(NS(=O)(=O)NC(=O)OCc2ccccc2)cnc1Cl
InChIInChI=1S/C14H14ClN3O4S/c1-10-7-12(8-16-13(10)15)17-23(20,21)18-14(19)22-9-11-5-3-2-4-6-11/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyFOSWNHFWVVCYBW-UHFFFAOYSA-N
XLogP2.63
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(3-cyanophenyl)sulfamoyl]carbamate
CID 69114384
benzyl N-[4-(6-chloro-5-methyl-3-pyridinyl)but-3-ynyl]carbamate
CID 170462217
(2R)-2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-3-phenylpropanamide
CID 103797011
benzyl N-(butan-2-ylsulfamoyl)carbamate
CID 176960952
triethyl(phenylmethoxycarbonylsulfamoyl)azanium
CID 11301482
benzyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate
CID 130581136
benzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate
CID 86617683
benzyl N-[1-(2,6-dimethoxyphenyl)ethylsulfamoyl]carbamate
CID 122179860
2-chloroethyl N-(phenylsulfamoyl)carbamate
CID 2765590
benzyl N-[3-(2-chloro-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855641
ethyl N-[(3-chloroquinoxalin-2-yl)sulfamoyl]carbamate
CID 102990345
benzyl N-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamate
CID 4935779

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate?
The IUPAC name of benzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate (CID 167857534) is benzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate.
What is the SMILES notation for benzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate?
The canonical SMILES for benzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate is Cc1cc(NS(=O)(=O)NC(=O)OCc2ccccc2)cnc1Cl.
What is the InChIKey of benzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate?
The InChIKey is FOSWNHFWVVCYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4S/c1-10-7-12(8-16-13(10)15)17-23(20,21)18-14(19)22-9-11-5-3-2-4-6-11/h2-8,17H,9H2,1H3,(H,18,19).
What are the key properties of benzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate?
benzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate has a molecular weight of 355.80 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate is sourced from PubChem (CID 167857534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).