2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(oxolan-2-ylmethyl)acetamide

C20H23ClN2O4S — CID 4190035

IUPAC2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1c(Cl)cccc1N(CC(=O)NCC1CCCO1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23ClN2O4S/c1-15-18(21)10-5-11-19(15)23(28(25,26)17-8-3-2-4-9-17)14-20(24)22-13-16-7-6-12-27-16/h2-5,8-11,16H,6-7,12-14H2,1H3,(H,22,24)
InChIKeyBICUKOJAVOBHGI-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.14
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(oxolan-2-ylmethyl)acetamide

2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 4190035) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID4190035
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1c(Cl)cccc1N(CC(=O)NCC1CCCO1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23ClN2O4S/c1-15-18(21)10-5-11-19(15)23(28(25,26)17-8-3-2-4-9-17)14-20(24)22-13-16-7-6-12-27-16/h2-5,8-11,16H,6-7,12-14H2,1H3,(H,22,24)
InChIKeyBICUKOJAVOBHGI-UHFFFAOYSA-N
XLogP3.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1143030
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3143342
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3984975
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1134632
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1138641
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1129536
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 125059758
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2947381
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1143041
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1303995
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(2-methylphenyl)methyl]acetamide
CID 1337995
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 2896469

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(oxolan-2-ylmethyl)acetamide (CID 4190035) is 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(oxolan-2-ylmethyl)acetamide is Cc1c(Cl)cccc1N(CC(=O)NCC1CCCO1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is BICUKOJAVOBHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-15-18(21)10-5-11-19(15)23(28(25,26)17-8-3-2-4-9-17)14-20(24)22-13-16-7-6-12-27-16/h2-5,8-11,16H,6-7,12-14H2,1H3,(H,22,24).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(oxolan-2-ylmethyl)acetamide?
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 422.93 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 4190035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).