3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride

C14H18ClNO4S — CID 43140036

IUPAC3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C14H18ClNO4S/c1-20-13-8-7-11(21(15,18)19)9-12(13)16-14(17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,16,17)
InChIKeyYBUVVNPJCVMDGV-UHFFFAOYSA-N
MW331.82 g/mol
LogP3.14
Rot. Bonds4

About 3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride

3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride (PubChem CID 43140036) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride
PubChem CID43140036
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C14H18ClNO4S/c1-20-13-8-7-11(21(15,18)19)9-12(13)16-14(17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,16,17)
InChIKeyYBUVVNPJCVMDGV-UHFFFAOYSA-N
XLogP3.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
3-(2-cyclopropylpropanoylamino)-4-methoxybenzenesulfonyl chloride
CID 83153776
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylpiperidine-4-carboxamide
CID 99970714
N-(2-methoxy-5-piperidin-1-ylphenyl)cyclobutanecarboxamide
CID 110426214
3-benzamido-4-methoxybenzenesulfonyl chloride
CID 43140030
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168030
N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide
CID 51370675
3-[3-(cyclohexanecarbonylamino)-4-methoxyanilino]-2-methyl-3-oxopropanoic acid
CID 138001716
1-N,3-N-bis(2-methoxy-5-methylphenyl)cyclohexane-1,3-dicarboxamide
CID 60594031

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride?
The IUPAC name of 3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride (CID 43140036) is 3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride?
The canonical SMILES for 3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride is COc1ccc(S(=O)(=O)Cl)cc1NC(=O)C1CCCCC1.
What is the InChIKey of 3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride?
The InChIKey is YBUVVNPJCVMDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-20-13-8-7-11(21(15,18)19)9-12(13)16-14(17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,16,17).
What are the key properties of 3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride?
3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride has a molecular weight of 331.82 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 43140036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).