5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide

C14H21ClN2O3S — CID 82878197

IUPAC5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
SMILESCCCN(C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1C)C(C)C
InChIInChI=1S/C14H21ClN2O3S/c1-5-6-17(9(2)3)14(18)12-7-11(15)8-13(10(12)4)21(16,19)20/h7-9H,5-6H2,1-4H3,(H2,16,19,20)
InChIKeyGXKKXRXYDOROIK-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.56
Rot. Bonds5

About 5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide

5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide (PubChem CID 82878197) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
PubChem CID82878197
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
SMILESCCCN(C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1C)C(C)C
InChIInChI=1S/C14H21ClN2O3S/c1-5-6-17(9(2)3)14(18)12-7-11(15)8-13(10(12)4)21(16,19)20/h7-9H,5-6H2,1-4H3,(H2,16,19,20)
InChIKeyGXKKXRXYDOROIK-UHFFFAOYSA-N
XLogP2.56
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide
CID 82890834
5-chloro-3-[ethyl(propan-2-yl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 82891061
2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 65387362
2,5-dichloro-N-methyl-N-propyl-3-sulfamoylbenzamide
CID 65388331
5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide
CID 82879168
2-propoxyethyl 5-chloro-2-methyl-3-sulfamoylbenzoate
CID 82879650
5-chloro-2-methyl-3-[propan-2-yl(propyl)sulfamoyl]benzoic acid
CID 82875153
2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide
CID 65388515
3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide
CID 65388313
4-chloro-6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 81225563
2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65371660
N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 43269913

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide?
The IUPAC name of 5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide (CID 82878197) is 5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide.
What is the SMILES notation for 5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide?
The canonical SMILES for 5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide is CCCN(C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1C)C(C)C.
What is the InChIKey of 5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide?
The InChIKey is GXKKXRXYDOROIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-5-6-17(9(2)3)14(18)12-7-11(15)8-13(10(12)4)21(16,19)20/h7-9H,5-6H2,1-4H3,(H2,16,19,20).
What are the key properties of 5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide?
5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide has a molecular weight of 332.85 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide is sourced from PubChem (CID 82878197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).