N-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide

C12H15ClN2O3S — CID 107002039

IUPACN-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1ccc(S(N)(=O)=O)c(Cl)c1
InChIInChI=1S/C12H15ClN2O3S/c1-12(2)6-8(12)11(16)15-7-3-4-10(9(13)5-7)19(14,17)18/h3-5,8H,6H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyMTMFHPPPTICVRW-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.97
Rot. Bonds3

About N-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide

N-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 107002039) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is N-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID107002039
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC NameN-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1ccc(S(N)(=O)=O)c(Cl)c1
InChIInChI=1S/C12H15ClN2O3S/c1-12(2)6-8(12)11(16)15-7-3-4-10(9(13)5-7)19(14,17)18/h3-5,8H,6H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyMTMFHPPPTICVRW-UHFFFAOYSA-N
XLogP1.97
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 15487895
N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 142139322
(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
N-(3-chloro-4-sulfamoylphenyl)-2-methylpentanamide
CID 43246501
N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000204
2-bromo-4-[(2,2-dimethylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
CID 107176181
3-chloro-N-(3-chloro-4-sulfamoylphenyl)benzamide
CID 43246493
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide
CID 20632813
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156
N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002185
N-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107001572
(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 7959731

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 107002039) is N-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)Nc1ccc(S(N)(=O)=O)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is MTMFHPPPTICVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-12(2)6-8(12)11(16)15-7-3-4-10(9(13)5-7)19(14,17)18/h3-5,8H,6H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 302.78 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107002039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).