2,4-dichloro-5-(dimethylaminocarbamoyl)-N-[(2R)-pentan-2-yl]benzenesulfonamide

C14H21Cl2N3O3S — CID 9179630

IUPAC2,4-dichloro-5-(dimethylaminocarbamoyl)-N-[(2R)-pentan-2-yl]benzenesulfonamide
SMILESCCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)NN(C)C)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O3S/c1-5-6-9(2)18-23(21,22)13-7-10(11(15)8-12(13)16)14(20)17-19(3)4/h7-9,18H,5-6H2,1-4H3,(H,17,20)/t9-/m1/s1
InChIKeyFGTNVQMUVJPCNM-SECBINFHSA-N
MW382.31 g/mol
LogP2.67
Rot. Bonds7

About 2,4-dichloro-5-(dimethylaminocarbamoyl)-N-[(2R)-pentan-2-yl]benzenesulfonamide

2,4-dichloro-5-(dimethylaminocarbamoyl)-N-[(2R)-pentan-2-yl]benzenesulfonamide (PubChem CID 9179630) has the molecular formula C14H21Cl2N3O3S and a molecular weight of 382.31 g/mol. Its IUPAC name is 2,4-dichloro-5-(dimethylaminocarbamoyl)-N-[(2R)-pentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-(dimethylaminocarbamoyl)-N-[(2R)-pentan-2-yl]benzenesulfonamide
PubChem CID9179630
Molecular FormulaC14H21Cl2N3O3S
Molecular Weight382.31 g/mol
Exact Mass381.07
IUPAC Name2,4-dichloro-5-(dimethylaminocarbamoyl)-N-[(2R)-pentan-2-yl]benzenesulfonamide
SMILESCCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)NN(C)C)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O3S/c1-5-6-9(2)18-23(21,22)13-7-10(11(15)8-12(13)16)14(20)17-19(3)4/h7-9,18H,5-6H2,1-4H3,(H,17,20)/t9-/m1/s1
InChIKeyFGTNVQMUVJPCNM-SECBINFHSA-N
XLogP2.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 2,4-dichloro-5-[[(2S)-pentan-2-yl]sulfamoyl]benzoate
CID 7806984
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
2,4-dichloro-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 93081651
2,4-dichloro-5-(hex-1-yn-3-ylsulfamoyl)benzoic acid
CID 106224222
2,4-dichloro-5-(1-methoxypropan-2-ylsulfamoyl)benzoic acid
CID 43081929
N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 4917995
2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide
CID 63297293
2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide
CID 65373984
3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 8893168
2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
CID 43107543
2-amino-5-chloro-N-pentan-2-ylbenzenesulfonamide
CID 54888470

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(dimethylaminocarbamoyl)-N-[(2R)-pentan-2-yl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-(dimethylaminocarbamoyl)-N-[(2R)-pentan-2-yl]benzenesulfonamide (CID 9179630) is 2,4-dichloro-5-(dimethylaminocarbamoyl)-N-[(2R)-pentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-(dimethylaminocarbamoyl)-N-[(2R)-pentan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-(dimethylaminocarbamoyl)-N-[(2R)-pentan-2-yl]benzenesulfonamide is CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)NN(C)C)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(dimethylaminocarbamoyl)-N-[(2R)-pentan-2-yl]benzenesulfonamide?
The InChIKey is FGTNVQMUVJPCNM-SECBINFHSA-N. The full InChI is InChI=1S/C14H21Cl2N3O3S/c1-5-6-9(2)18-23(21,22)13-7-10(11(15)8-12(13)16)14(20)17-19(3)4/h7-9,18H,5-6H2,1-4H3,(H,17,20)/t9-/m1/s1.
What are the key properties of 2,4-dichloro-5-(dimethylaminocarbamoyl)-N-[(2R)-pentan-2-yl]benzenesulfonamide?
2,4-dichloro-5-(dimethylaminocarbamoyl)-N-[(2R)-pentan-2-yl]benzenesulfonamide has a molecular weight of 382.31 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(dimethylaminocarbamoyl)-N-[(2R)-pentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 9179630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).