2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide

C16H17ClN2O4S — CID 28631283

IUPAC2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide
SMILESCCOc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C16H17ClN2O4S/c1-3-23-15-7-5-4-6-14(15)18-16(20)12-10-11(8-9-13(12)17)19-24(2,21)22/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeyDBXBVQZXINTQGM-UHFFFAOYSA-N
MW368.84 g/mol
LogP3.36
Rot. Bonds6

About 2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide

2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide (PubChem CID 28631283) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is 2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide
PubChem CID28631283
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide
SMILESCCOc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C16H17ClN2O4S/c1-3-23-15-7-5-4-6-14(15)18-16(20)12-10-11(8-9-13(12)17)19-24(2,21)22/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeyDBXBVQZXINTQGM-UHFFFAOYSA-N
XLogP3.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-chloro-5-(methanesulfonamido)benzoyl]amino]benzoate
CID 38015776
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-5-(methanesulfonamido)benzamide
CID 92675184
2-chloro-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 2591172
5-amino-2,3-dichloro-N-(2-ethoxyphenyl)benzamide
CID 107183316
N-(4-acetamidophenyl)-2-chloro-5-(methanesulfonamido)benzamide
CID 30397176
2-(cyclopropylsulfonylamino)-N-(2-ethoxyphenyl)benzamide
CID 71598556
2,4-diethoxy-N-(2-ethoxyphenyl)benzamide
CID 17340647
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide
CID 46764359
2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide
CID 46770786
N-(2-ethoxyphenyl)-2-iodobenzamide
CID 996130
3,6-dichloro-N-(2-ethoxyphenyl)-2-methoxybenzamide
CID 707490

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide?
The IUPAC name of 2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide (CID 28631283) is 2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide.
What is the SMILES notation for 2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide?
The canonical SMILES for 2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide is CCOc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide?
The InChIKey is DBXBVQZXINTQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-3-23-15-7-5-4-6-14(15)18-16(20)12-10-11(8-9-13(12)17)19-24(2,21)22/h4-10,19H,3H2,1-2H3,(H,18,20).
What are the key properties of 2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide?
2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide has a molecular weight of 368.84 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethoxyphenyl)-5-(methanesulfonamido)benzamide is sourced from PubChem (CID 28631283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).