4-[(2-chloropyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxamide

C11H15ClN4O3S — CID 61051961

IUPAC4-[(2-chloropyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NS(=O)(=O)c2cnc(Cl)nc2)CC1
InChIInChI=1S/C11H15ClN4O3S/c12-11-14-5-9(6-15-11)20(18,19)16-8-3-1-7(2-4-8)10(13)17/h5-8,16H,1-4H2,(H2,13,17)
InChIKeySBULJQOVQZJWDZ-UHFFFAOYSA-N
MW318.79 g/mol
LogP0.45
Rot. Bonds4

About 4-[(2-chloropyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxamide

4-[(2-chloropyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxamide (PubChem CID 61051961) has the molecular formula C11H15ClN4O3S and a molecular weight of 318.79 g/mol. Its IUPAC name is 4-[(2-chloropyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-chloropyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxamide
PubChem CID61051961
Molecular FormulaC11H15ClN4O3S
Molecular Weight318.79 g/mol
Exact Mass318.06
IUPAC Name4-[(2-chloropyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NS(=O)(=O)c2cnc(Cl)nc2)CC1
InChIInChI=1S/C11H15ClN4O3S/c12-11-14-5-9(6-15-11)20(18,19)16-8-3-1-7(2-4-8)10(13)17/h5-8,16H,1-4H2,(H2,13,17)
InChIKeySBULJQOVQZJWDZ-UHFFFAOYSA-N
XLogP0.45
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,4-dimethylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 123780461
6-amino-5-chloro-N-cyclopropylpyridine-3-sulfonamide
CID 64607555
N-(1-butylpiperidin-4-yl)-2-chloropyrimidine-5-sulfonamide
CID 61050841
4-[(2-aminophenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 61125880
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 106193759
N-cyclopropyl-6-(cyclopropylamino)pyridine-3-sulfonamide
CID 96664227
2-chloro-N-(2-methylsulfanylcyclohexyl)pyrimidine-5-sulfonamide
CID 114122877
6-chloro-N-cyclooctylpyridine-3-sulfonamide
CID 7938157
4-[(1,4-dichloroisoquinolin-7-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 90786256
2-chloro-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 43456299
methyl 4-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 115617309
3,5-dichloro-N-cyclopropylbenzenesulfonamide
CID 26947993

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloropyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2-chloropyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxamide (CID 61051961) is 4-[(2-chloropyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2-chloropyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2-chloropyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NS(=O)(=O)c2cnc(Cl)nc2)CC1.
What is the InChIKey of 4-[(2-chloropyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxamide?
The InChIKey is SBULJQOVQZJWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O3S/c12-11-14-5-9(6-15-11)20(18,19)16-8-3-1-7(2-4-8)10(13)17/h5-8,16H,1-4H2,(H2,13,17).
What are the key properties of 4-[(2-chloropyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxamide?
4-[(2-chloropyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxamide has a molecular weight of 318.79 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloropyrimidin-5-yl)sulfonylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 61051961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).