2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid

C14H18ClNO4S — CID 107397553

IUPAC2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid
SMILESCCN(CC1CCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C14H18ClNO4S/c1-2-16(9-10-4-3-5-10)21(19,20)11-6-7-13(15)12(8-11)14(17)18/h6-8,10H,2-5,9H2,1H3,(H,17,18)
InChIKeyDQHBUSIQBNOLTM-UHFFFAOYSA-N
MW331.82 g/mol
LogP2.85
Rot. Bonds6

About 2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid

2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid (PubChem CID 107397553) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid
PubChem CID107397553
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid
SMILESCCN(CC1CCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C14H18ClNO4S/c1-2-16(9-10-4-3-5-10)21(19,20)11-6-7-13(15)12(8-11)14(17)18/h6-8,10H,2-5,9H2,1H3,(H,17,18)
InChIKeyDQHBUSIQBNOLTM-UHFFFAOYSA-N
XLogP2.85
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63954323
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399642
2-chloro-5-[2,2-dichloroethyl(ethyl)sulfamoyl]benzoic acid
CID 70536672
4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 78774378
(2S)-1-[2-chloro-5-(diethylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 41273093
2-chloro-5-(diethylsulfamoyl)benzoate
CID 4206054
6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398335
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide
CID 36520929
2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63955952
5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 107397572
2-chloro-5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid
CID 107400209

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid (CID 107397553) is 2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid is CCN(CC1CCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid?
The InChIKey is DQHBUSIQBNOLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-2-16(9-10-4-3-5-10)21(19,20)11-6-7-13(15)12(8-11)14(17)18/h6-8,10H,2-5,9H2,1H3,(H,17,18).
What are the key properties of 2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid?
2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid has a molecular weight of 331.82 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 107397553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).