3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide

C14H19ClN2O3S — CID 107101066

IUPAC3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide
SMILESCc1c(Cl)cc(S(N)(=O)=O)cc1C(=O)NCCCC1CC1
InChIInChI=1S/C14H19ClN2O3S/c1-9-12(7-11(8-13(9)15)21(16,19)20)14(18)17-6-2-3-10-4-5-10/h7-8,10H,2-6H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyGSTXTAHVPXQVOK-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.22
Rot. Bonds6

About 3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide

3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide (PubChem CID 107101066) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide
PubChem CID107101066
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide
SMILESCc1c(Cl)cc(S(N)(=O)=O)cc1C(=O)NCCCC1CC1
InChIInChI=1S/C14H19ClN2O3S/c1-9-12(7-11(8-13(9)15)21(16,19)20)14(18)17-6-2-3-10-4-5-10/h7-8,10H,2-6H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyGSTXTAHVPXQVOK-UHFFFAOYSA-N
XLogP2.22
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-(3-cyclopropylpropylcarbamoyl)-4-methylbenzenesulfonyl chloride
CID 107100777
3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 107100939
3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide
CID 107100880
2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide
CID 38856928
3-chloro-N-(1-cyclobutylethyl)-2-methyl-5-sulfamoylbenzamide
CID 107101061
3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide
CID 107100983
3-chloro-4-methyl-5-(4-methylpentylcarbamoyl)benzenesulfonyl chloride
CID 107100668
3-chloro-2-methyl-5-sulfamoylbenzamide
CID 107100898
3-chloro-N-(1-ethylcyclobutyl)-2-methyl-5-sulfamoylbenzamide
CID 107101056
3-methoxypropyl 3-chloro-2-methyl-5-sulfamoylbenzoate
CID 107101090
5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide
CID 82890908
3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide
CID 107100990

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide (CID 107101066) is 3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide is Cc1c(Cl)cc(S(N)(=O)=O)cc1C(=O)NCCCC1CC1.
What is the InChIKey of 3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide?
The InChIKey is GSTXTAHVPXQVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-9-12(7-11(8-13(9)15)21(16,19)20)14(18)17-6-2-3-10-4-5-10/h7-8,10H,2-6H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide?
3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide has a molecular weight of 330.84 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 107101066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).