(3,4-dimethylcyclohexyl) 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate

C14H20ClNO4S — CID 65373386

IUPAC(3,4-dimethylcyclohexyl) 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
SMILESCC1CCC(OC(=O)c2cc(S(=O)(=O)Cl)cn2C)CC1C
InChIInChI=1S/C14H20ClNO4S/c1-9-4-5-11(6-10(9)2)20-14(17)13-7-12(8-16(13)3)21(15,18)19/h7-11H,4-6H2,1-3H3
InChIKeyBRXAPNWYUYFTNI-UHFFFAOYSA-N
MW333.84 g/mol
LogP2.93
Rot. Bonds3

About (3,4-dimethylcyclohexyl) 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate

(3,4-dimethylcyclohexyl) 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate (PubChem CID 65373386) has the molecular formula C14H20ClNO4S and a molecular weight of 333.84 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl) 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl) 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
PubChem CID65373386
Molecular FormulaC14H20ClNO4S
Molecular Weight333.84 g/mol
Exact Mass333.08
IUPAC Name(3,4-dimethylcyclohexyl) 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
SMILESCC1CCC(OC(=O)c2cc(S(=O)(=O)Cl)cn2C)CC1C
InChIInChI=1S/C14H20ClNO4S/c1-9-4-5-11(6-10(9)2)20-14(17)13-7-12(8-16(13)3)21(15,18)19/h7-11H,4-6H2,1-3H3
InChIKeyBRXAPNWYUYFTNI-UHFFFAOYSA-N
XLogP2.93
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,4-dimethylcyclohexyl) 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 1-methyl-4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylate
CID 6623801
Methyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515634
Ethyl 1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxylate
CID 22515810
Ethyl 1-(5-methoxycarbonyl-1-methylpyrrol-3-yl)sulfonylpiperidine-3-carboxylate
CID 22515695
Ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate
CID 22515783
Methyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 6623771
methyl 4-(azepane-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
CID 22515648
Methyl 1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylate
CID 22515654
methyl 1-methyl-4-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate
CID 22515655
Ethyl 4-[(cyclohexylamino)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 22515733
Methyl 4-(benzylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 6625524
methyl 4-[(2,6-dimethylphenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 22515640

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl) 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate?
The IUPAC name of (3,4-dimethylcyclohexyl) 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate (CID 65373386) is (3,4-dimethylcyclohexyl) 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for (3,4-dimethylcyclohexyl) 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate?
The canonical SMILES for (3,4-dimethylcyclohexyl) 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate is CC1CCC(OC(=O)c2cc(S(=O)(=O)Cl)cn2C)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl) 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate?
The InChIKey is BRXAPNWYUYFTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4S/c1-9-4-5-11(6-10(9)2)20-14(17)13-7-12(8-16(13)3)21(15,18)19/h7-11H,4-6H2,1-3H3.
What are the key properties of (3,4-dimethylcyclohexyl) 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate?
(3,4-dimethylcyclohexyl) 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate has a molecular weight of 333.84 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl) 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 65373386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).