2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide

C11H16ClNO5S2 — CID 115776360

IUPAC2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCC(CO)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C11H16ClNO5S2/c1-8(7-14)13(2)20(17,18)11-6-9(19(3,15)16)4-5-10(11)12/h4-6,8,14H,7H2,1-3H3
InChIKeyHVDSQUPLLXCCOB-UHFFFAOYSA-N
MW341.84 g/mol
LogP0.74
Rot. Bonds5

About 2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide

2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide (PubChem CID 115776360) has the molecular formula C11H16ClNO5S2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide
PubChem CID115776360
Molecular FormulaC11H16ClNO5S2
Molecular Weight341.84 g/mol
Exact Mass341.02
IUPAC Name2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCC(CO)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C11H16ClNO5S2/c1-8(7-14)13(2)20(17,18)11-6-9(19(3,15)16)4-5-10(11)12/h4-6,8,14H,7H2,1-3H3
InChIKeyHVDSQUPLLXCCOB-UHFFFAOYSA-N
XLogP0.74
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide
CID 35290992
2-[(2-chloro-5-methylsulfonylphenyl)sulfonyl-methylamino]acetic acid
CID 43245200
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide
CID 119982877
3-chloro-4-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 115776409
methyl 3-[(2-chloro-5-methylsulfonylphenyl)sulfonyl-methylamino]propanoate
CID 55905314
N-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide
CID 62143236
N-butan-2-yl-2-hydrazinyl-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 43455184
ethyl 2-[(2-chloro-5-methylsulfonylphenyl)sulfonyl-propylamino]acetate
CID 47059378
N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 97083157
N-(1-bromopropan-2-yl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 104556395
3-amino-4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 104550970
N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 115875785

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide (CID 115776360) is 2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide is CC(CO)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide?
The InChIKey is HVDSQUPLLXCCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO5S2/c1-8(7-14)13(2)20(17,18)11-6-9(19(3,15)16)4-5-10(11)12/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide?
2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide has a molecular weight of 341.84 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 115776360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).