N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide

C12H17ClN2O4S — CID 103022178

IUPACN-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-12(2,19-3)7-11(16)15-10-6-8(20(14,17)18)4-5-9(10)13/h4-6H,7H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyDJJPZQNRHOXDNY-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.74
Rot. Bonds5

About N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide

N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide (PubChem CID 103022178) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide
PubChem CID103022178
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC NameN-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-12(2,19-3)7-11(16)15-10-6-8(20(14,17)18)4-5-9(10)13/h4-6H,7H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyDJJPZQNRHOXDNY-UHFFFAOYSA-N
XLogP1.74
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
N-(2-chloro-5-sulfamoylphenyl)-2-ethoxyacetamide
CID 61130321
3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
CID 54924131
2-hydroxyethyl N-(2-chloro-5-sulfamoylphenyl)carbamate
CID 79345913
5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 43700521
2-amino-N-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60849966
N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852732
N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide
CID 103020720
2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569457
3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 61130873
2-amino-N-(2-chloro-5-sulfamoylphenyl)-2-cyclopropylpropanamide
CID 60867729
N-(2-chloro-5-sulfamoylphenyl)-2-cyclohexylacetamide
CID 61130512

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide (CID 103022178) is N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide?
The InChIKey is DJJPZQNRHOXDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-12(2,19-3)7-11(16)15-10-6-8(20(14,17)18)4-5-9(10)13/h4-6H,7H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide?
N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide has a molecular weight of 320.80 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103022178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).