2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride

C12H14Cl3NO3S — CID 65372770

IUPAC2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
SMILESCCC(CC)NC(=O)c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H14Cl3NO3S/c1-3-8(4-2)16-12(17)7-5-9(13)11(14)10(6-7)20(15,18)19/h5-6,8H,3-4H2,1-2H3,(H,16,17)
InChIKeyIXNGLQWEODUSNF-UHFFFAOYSA-N
MW358.67 g/mol
LogP3.84
Rot. Bonds5

About 2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride

2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65372770) has the molecular formula C12H14Cl3NO3S and a molecular weight of 358.67 g/mol. Its IUPAC name is 2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
PubChem CID65372770
Molecular FormulaC12H14Cl3NO3S
Molecular Weight358.67 g/mol
Exact Mass356.98
IUPAC Name2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
SMILESCCC(CC)NC(=O)c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H14Cl3NO3S/c1-3-8(4-2)16-12(17)7-5-9(13)11(14)10(6-7)20(15,18)19/h5-6,8H,3-4H2,1-2H3,(H,16,17)
InChIKeyIXNGLQWEODUSNF-UHFFFAOYSA-N
XLogP3.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.67
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide
CID 81291212
2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65370659
3-fluoro-2-methoxy-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65372773
2,3,6-trichloro-N-pentan-3-yl-5-sulfamoylbenzamide
CID 65374079
2-bromo-3-fluoro-5-(1-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65398809
3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide
CID 65375550
2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride
CID 65368290
2,3-dichloro-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride
CID 65397171
N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide
CID 114307803
3-chloro-4-methyl-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 107100588
3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide
CID 78794431
3-chloro-4-(ethylamino)-5-nitro-N-pentan-3-ylbenzamide
CID 62171484

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride (CID 65372770) is 2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride is CCC(CC)NC(=O)c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is IXNGLQWEODUSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO3S/c1-3-8(4-2)16-12(17)7-5-9(13)11(14)10(6-7)20(15,18)19/h5-6,8H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride?
2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 358.67 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65372770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).