3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide

C14H19ClN2O3S — CID 107100990

IUPAC3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide
SMILESCc1c(Cl)cc(S(N)(=O)=O)cc1C(=O)N(C)CC1CC1C
InChIInChI=1S/C14H19ClN2O3S/c1-8-4-10(8)7-17(3)14(18)12-5-11(21(16,19)20)6-13(15)9(12)2/h5-6,8,10H,4,7H2,1-3H3,(H2,16,19,20)
InChIKeyFNRUKSPLXKXLDB-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.02
Rot. Bonds4

About 3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide

3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide (PubChem CID 107100990) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide
PubChem CID107100990
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide
SMILESCc1c(Cl)cc(S(N)(=O)=O)cc1C(=O)N(C)CC1CC1C
InChIInChI=1S/C14H19ClN2O3S/c1-8-4-10(8)7-17(3)14(18)12-5-11(21(16,19)20)6-13(15)9(12)2/h5-6,8,10H,4,7H2,1-3H3,(H2,16,19,20)
InChIKeyFNRUKSPLXKXLDB-UHFFFAOYSA-N
XLogP2.02
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 65387721
3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107872784
3-chloro-5-[cyclobutylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 107100665
N-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 55258090
3-chloro-2-methyl-5-sulfamoylbenzamide
CID 107100898
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-6-sulfamoylbenzamide
CID 63858500
2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107988270
3-amino-5-chloro-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879071
4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 81233422
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide
CID 63865891
2,4-difluoro-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]benzenesulfonyl chloride
CID 65398593
3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide
CID 107101066

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide (CID 107100990) is 3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide is Cc1c(Cl)cc(S(N)(=O)=O)cc1C(=O)N(C)CC1CC1C.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide?
The InChIKey is FNRUKSPLXKXLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-8-4-10(8)7-17(3)14(18)12-5-11(21(16,19)20)6-13(15)9(12)2/h5-6,8,10H,4,7H2,1-3H3,(H2,16,19,20).
What are the key properties of 3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide?
3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide has a molecular weight of 330.84 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 107100990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).