3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride

C11H13Cl2NO4S — CID 65368353

IUPAC3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCOCC(C)NC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H13Cl2NO4S/c1-7(6-18-2)14-11(15)8-3-9(12)5-10(4-8)19(13,16)17/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyWTPNKIQHTVQIMH-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.03
Rot. Bonds5

About 3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride

3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65368353) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is 3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride
PubChem CID65368353
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCOCC(C)NC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H13Cl2NO4S/c1-7(6-18-2)14-11(15)8-3-9(12)5-10(4-8)19(13,16)17/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyWTPNKIQHTVQIMH-UHFFFAOYSA-N
XLogP2.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30481549
3-chloro-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370239
3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide
CID 103826410
3-chloro-5-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]benzenesulfonyl chloride
CID 113470451
4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide
CID 82787029
4-fluoro-3-(1-methoxypropan-2-ylcarbamoyl)-5-methylbenzenesulfonyl chloride
CID 81478510
3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide
CID 65382617
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
2,4-dichloro-6-hydroxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 96525639
3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65396840
3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183248
4-methylpentyl 3-chloro-5-chlorosulfonylbenzoate
CID 65373927

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride (CID 65368353) is 3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride is COCC(C)NC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is WTPNKIQHTVQIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-7(6-18-2)14-11(15)8-3-9(12)5-10(4-8)19(13,16)17/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride?
3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 326.20 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65368353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).