2-chloro-6-(2,3-dihydroxypropylamino)-N-(2,4-dimethylphenyl)benzenesulfonamide

C17H21ClN2O4S — CID 168593929

IUPAC2-chloro-6-(2,3-dihydroxypropylamino)-N-(2,4-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(Cl)cccc2NCC(O)CO)c(C)c1
InChIInChI=1S/C17H21ClN2O4S/c1-11-6-7-15(12(2)8-11)20-25(23,24)17-14(18)4-3-5-16(17)19-9-13(22)10-21/h3-8,13,19-22H,9-10H2,1-2H3
InChIKeyIMTCQTDCLJLHDV-UHFFFAOYSA-N
MW384.89 g/mol
LogP2.52
Rot. Bonds7

About 2-chloro-6-(2,3-dihydroxypropylamino)-N-(2,4-dimethylphenyl)benzenesulfonamide

2-chloro-6-(2,3-dihydroxypropylamino)-N-(2,4-dimethylphenyl)benzenesulfonamide (PubChem CID 168593929) has the molecular formula C17H21ClN2O4S and a molecular weight of 384.89 g/mol. Its IUPAC name is 2-chloro-6-(2,3-dihydroxypropylamino)-N-(2,4-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-6-(2,3-dihydroxypropylamino)-N-(2,4-dimethylphenyl)benzenesulfonamide
PubChem CID168593929
Molecular FormulaC17H21ClN2O4S
Molecular Weight384.89 g/mol
Exact Mass384.09
IUPAC Name2-chloro-6-(2,3-dihydroxypropylamino)-N-(2,4-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(Cl)cccc2NCC(O)CO)c(C)c1
InChIInChI=1S/C17H21ClN2O4S/c1-11-6-7-15(12(2)8-11)20-25(23,24)17-14(18)4-3-5-16(17)19-9-13(22)10-21/h3-8,13,19-22H,9-10H2,1-2H3
InChIKeyIMTCQTDCLJLHDV-UHFFFAOYSA-N
XLogP2.52
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-(2,3-dichloroanilino)propane-1,2-diol
CID 61143030
N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide
CID 168593503
N-(2-chlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126385388
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
(2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol
CID 61143077
N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507393
5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608237
3-(2,4-dimethylanilino)-2-methylpropan-1-ol
CID 115871838
3-[2-(3-methylphenyl)anilino]propane-1,2-diol
CID 168593271
3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid
CID 78843133
4-[(3-chloro-2-hydroxypropyl)amino]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 168638523
2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide
CID 168596784

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,3-dihydroxypropylamino)-N-(2,4-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-6-(2,3-dihydroxypropylamino)-N-(2,4-dimethylphenyl)benzenesulfonamide (CID 168593929) is 2-chloro-6-(2,3-dihydroxypropylamino)-N-(2,4-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-6-(2,3-dihydroxypropylamino)-N-(2,4-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-6-(2,3-dihydroxypropylamino)-N-(2,4-dimethylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2NCC(O)CO)c(C)c1.
What is the InChIKey of 2-chloro-6-(2,3-dihydroxypropylamino)-N-(2,4-dimethylphenyl)benzenesulfonamide?
The InChIKey is IMTCQTDCLJLHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4S/c1-11-6-7-15(12(2)8-11)20-25(23,24)17-14(18)4-3-5-16(17)19-9-13(22)10-21/h3-8,13,19-22H,9-10H2,1-2H3.
What are the key properties of 2-chloro-6-(2,3-dihydroxypropylamino)-N-(2,4-dimethylphenyl)benzenesulfonamide?
2-chloro-6-(2,3-dihydroxypropylamino)-N-(2,4-dimethylphenyl)benzenesulfonamide has a molecular weight of 384.89 g/mol, XLogP of 2.52, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,3-dihydroxypropylamino)-N-(2,4-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 168593929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).