N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide

C19H23ClN2O4S — CID 42909894

IUPACN-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)CC)ccc2Cl)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-4-13(3)21-19(23)14-6-11-17(20)18(12-14)27(24,25)22-15-7-9-16(10-8-15)26-5-2/h6-13,22H,4-5H2,1-3H3,(H,21,23)
InChIKeyBRFCQQFBZFQPDG-UHFFFAOYSA-N
MW410.92 g/mol
LogP4.07
Rot. Bonds8

About N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide

N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide (PubChem CID 42909894) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
PubChem CID42909894
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC NameN-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)CC)ccc2Cl)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-4-13(3)21-19(23)14-6-11-17(20)18(12-14)27(24,25)22-15-7-9-16(10-8-15)26-5-2/h6-13,22H,4-5H2,1-3H3,(H,21,23)
InChIKeyBRFCQQFBZFQPDG-UHFFFAOYSA-N
XLogP4.07
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 30390620
5-(benzamidocarbamoyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 27555838
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55834264
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 24539437
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
CID 24540698
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30161951
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415208
4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126387201
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24539573
4-chloro-N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30295727
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 55932771
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide (CID 42909894) is N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide is CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)CC)ccc2Cl)cc1.
What is the InChIKey of N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The InChIKey is BRFCQQFBZFQPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-4-13(3)21-19(23)14-6-11-17(20)18(12-14)27(24,25)22-15-7-9-16(10-8-15)26-5-2/h6-13,22H,4-5H2,1-3H3,(H,21,23).
What are the key properties of N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide?
N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide has a molecular weight of 410.92 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 42909894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).