4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride

C11H10Cl2FNO3S — CID 113486103

IUPAC4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
SMILESCC1(NC(=O)c2cc(S(=O)(=O)Cl)c(F)cc2Cl)CC1
InChIInChI=1S/C11H10Cl2FNO3S/c1-11(2-3-11)15-10(16)6-4-9(19(13,17)18)8(14)5-7(6)12/h4-5H,2-3H2,1H3,(H,15,16)
InChIKeyVGMWRTSQNBYWNM-UHFFFAOYSA-N
MW326.18 g/mol
LogP2.69
Rot. Bonds3

About 4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride

4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 113486103) has the molecular formula C11H10Cl2FNO3S and a molecular weight of 326.18 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
PubChem CID113486103
Molecular FormulaC11H10Cl2FNO3S
Molecular Weight326.18 g/mol
Exact Mass324.97
IUPAC Name4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
SMILESCC1(NC(=O)c2cc(S(=O)(=O)Cl)c(F)cc2Cl)CC1
InChIInChI=1S/C11H10Cl2FNO3S/c1-11(2-3-11)15-10(16)6-4-9(19(13,17)18)8(14)5-7(6)12/h4-5H,2-3H2,1H3,(H,15,16)
InChIKeyVGMWRTSQNBYWNM-UHFFFAOYSA-N
XLogP2.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-chloro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 113486107
4-chloro-5-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65370403
3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
CID 65398826
4-chloro-2-fluoro-5-(oxan-4-ylcarbamoyl)benzenesulfonyl chloride
CID 65371146
2,4-dimethyl-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
CID 65397672
2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide
CID 122159233
tert-butyl 2-chloro-5-chlorosulfonyl-4-fluorobenzoate
CID 65396935
2-chloro-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-sulfamoylbenzamide
CID 65387287
2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide
CID 114918894
2,4-dichloro-5-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 47114810
5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide
CID 65380196
4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65371948

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride (CID 113486103) is 4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride is CC1(NC(=O)c2cc(S(=O)(=O)Cl)c(F)cc2Cl)CC1.
What is the InChIKey of 4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is VGMWRTSQNBYWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FNO3S/c1-11(2-3-11)15-10(16)6-4-9(19(13,17)18)8(14)5-7(6)12/h4-5H,2-3H2,1H3,(H,15,16).
What are the key properties of 4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 326.18 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 113486103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).