3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide

C10H14ClNO4S — CID 65314246

IUPAC3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(CO)CO
InChIInChI=1S/C10H14ClNO4S/c1-7-9(11)3-2-4-10(7)17(15,16)12-8(5-13)6-14/h2-4,8,12-14H,5-6H2,1H3
InChIKeyAAQOAGSRFJFYHB-UHFFFAOYSA-N
MW279.75 g/mol
LogP0.28
Rot. Bonds5

About 3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide

3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide (PubChem CID 65314246) has the molecular formula C10H14ClNO4S and a molecular weight of 279.75 g/mol. Its IUPAC name is 3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
PubChem CID65314246
Molecular FormulaC10H14ClNO4S
Molecular Weight279.75 g/mol
Exact Mass279.03
IUPAC Name3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(CO)CO
InChIInChI=1S/C10H14ClNO4S/c1-7-9(11)3-2-4-10(7)17(15,16)12-8(5-13)6-14/h2-4,8,12-14H,5-6H2,1H3
InChIKeyAAQOAGSRFJFYHB-UHFFFAOYSA-N
XLogP0.28
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103837050
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103825635
3-[(3-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43361690
(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79010898
2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 43361242
3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 103918364
N-[2-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 39621833
(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906681
5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide
CID 124680579
2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 113318363
N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide
CID 63731915
4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide (CID 65314246) is 3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NC(CO)CO.
What is the InChIKey of 3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide?
The InChIKey is AAQOAGSRFJFYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S/c1-7-9(11)3-2-4-10(7)17(15,16)12-8(5-13)6-14/h2-4,8,12-14H,5-6H2,1H3.
What are the key properties of 3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide?
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide has a molecular weight of 279.75 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 65314246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).