N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide

C12H17ClN2O4S — CID 115949813

IUPACN-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-8(2)19-7-12(16)14-11-6-9(4-5-10(11)13)15-20(3,17)18/h4-6,8,15H,7H2,1-3H3,(H,14,16)
InChIKeyRJLYGWYTDMUMCP-UHFFFAOYSA-N
MW320.80 g/mol
LogP2.08
Rot. Bonds6

About N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide

N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide (PubChem CID 115949813) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide
PubChem CID115949813
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC NameN-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-8(2)19-7-12(16)14-11-6-9(4-5-10(11)13)15-20(3,17)18/h4-6,8,15H,7H2,1-3H3,(H,14,16)
InChIKeyRJLYGWYTDMUMCP-UHFFFAOYSA-N
XLogP2.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(methanesulfonamido)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949812
(2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide
CID 54995930
N-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47423695
methyl 4-chloro-3-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 112687194
N-[2-chloro-5-(methanesulfonamido)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287733
N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide
CID 43708221
2-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]butanamide
CID 65225006
2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide
CID 43706825
N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide
CID 62999677
(E)-4-[2-chloro-5-(methanesulfonamido)anilino]-4-oxobut-2-enoic acid
CID 60942059
N-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide
CID 43708233
1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
CID 115452464

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide (CID 115949813) is N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)Nc1cc(NS(C)(=O)=O)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide?
The InChIKey is RJLYGWYTDMUMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-8(2)19-7-12(16)14-11-6-9(4-5-10(11)13)15-20(3,17)18/h4-6,8,15H,7H2,1-3H3,(H,14,16).
What are the key properties of N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide?
N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide has a molecular weight of 320.80 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 115949813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).