2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide

C19H21ClN2O4S — CID 55902296

IUPAC2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C19H21ClN2O4S/c1-13-16(20)8-4-10-18(13)27(24,25)22-17-9-3-2-7-15(17)19(23)21-12-14-6-5-11-26-14/h2-4,7-10,14,22H,5-6,11-12H2,1H3,(H,21,23)
InChIKeyAYGWUDQFVWSKTJ-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.36
Rot. Bonds6

About 2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide

2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 55902296) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID55902296
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C19H21ClN2O4S/c1-13-16(20)8-4-10-18(13)27(24,25)22-17-9-3-2-7-15(17)19(23)21-12-14-6-5-11-26-14/h2-4,7-10,14,22H,5-6,11-12H2,1H3,(H,21,23)
InChIKeyAYGWUDQFVWSKTJ-UHFFFAOYSA-N
XLogP3.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491650
2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133202124
3,4-dimethyl-5-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]sulfamoyl]benzoic acid
CID 51515581
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331442
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491121
2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8843734
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-[(2,5-difluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 40821094
2-[(2,5-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 40821093
N-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide
CID 8843726
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133189831

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide (CID 55902296) is 2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ccccc1C(=O)NCC1CCCO1.
What is the InChIKey of 2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is AYGWUDQFVWSKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-13-16(20)8-4-10-18(13)27(24,25)22-17-9-3-2-7-15(17)19(23)21-12-14-6-5-11-26-14/h2-4,7-10,14,22H,5-6,11-12H2,1H3,(H,21,23).
What are the key properties of 2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 408.91 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-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 55902296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).