2,2-dichloro-N-[(6-fluoro-4-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide

C10H9Cl2FN2O3S — CID 167757637

IUPAC2,2-dichloro-N-[(6-fluoro-4-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide
SMILESCc1cc(F)ncc1S(=O)(=O)NC(=O)C1CC1(Cl)Cl
InChIInChI=1S/C10H9Cl2FN2O3S/c1-5-2-8(13)14-4-7(5)19(17,18)15-9(16)6-3-10(6,11)12/h2,4,6H,3H2,1H3,(H,15,16)
InChIKeyNSILSHXNAUNDCL-UHFFFAOYSA-N
MW327.16 g/mol
LogP1.53
Rot. Bonds3

About 2,2-dichloro-N-[(6-fluoro-4-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide

2,2-dichloro-N-[(6-fluoro-4-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide (PubChem CID 167757637) has the molecular formula C10H9Cl2FN2O3S and a molecular weight of 327.16 g/mol. Its IUPAC name is 2,2-dichloro-N-[(6-fluoro-4-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(6-fluoro-4-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide
PubChem CID167757637
Molecular FormulaC10H9Cl2FN2O3S
Molecular Weight327.16 g/mol
Exact Mass325.97
IUPAC Name2,2-dichloro-N-[(6-fluoro-4-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide
SMILESCc1cc(F)ncc1S(=O)(=O)NC(=O)C1CC1(Cl)Cl
InChIInChI=1S/C10H9Cl2FN2O3S/c1-5-2-8(13)14-4-7(5)19(17,18)15-9(16)6-3-10(6,11)12/h2,4,6H,3H2,1H3,(H,15,16)
InChIKeyNSILSHXNAUNDCL-UHFFFAOYSA-N
XLogP1.53
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
CID 71988378
2-methyl-N-[(6-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide
CID 86819669
1-[(6-fluoro-3-pyridinyl)sulfonyl]-N-methylpiperidine-4-carboxamide
CID 162486710
N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-sulfonamide
CID 65032177
N-(2,4-difluorophenyl)sulfonyl-3-pyridin-4-ylbutanamide
CID 75391228
3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pentanamide
CID 91652905
N-[(3-fluoro-2-pyridinyl)sulfonyl]cyclopent-3-ene-1-carboxamide
CID 91652925
N-[(3-fluoro-2-pyridinyl)sulfonyl]-3,3-dimethylbutanamide
CID 91652926
cis-(1S,2R)-2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
CID 96281715
trans-(1S,2S)-2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
CID 96281716
trans-(1R,2R)-2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
CID 96281718
cis-(1R,2S)-2-(2,3-difluorophenyl)-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
CID 96281720

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[(6-fluoro-4-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[(6-fluoro-4-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide (CID 167757637) is 2,2-dichloro-N-[(6-fluoro-4-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[(6-fluoro-4-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[(6-fluoro-4-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide is Cc1cc(F)ncc1S(=O)(=O)NC(=O)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[(6-fluoro-4-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide?
The InChIKey is NSILSHXNAUNDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2FN2O3S/c1-5-2-8(13)14-4-7(5)19(17,18)15-9(16)6-3-10(6,11)12/h2,4,6H,3H2,1H3,(H,15,16).
What are the key properties of 2,2-dichloro-N-[(6-fluoro-4-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide?
2,2-dichloro-N-[(6-fluoro-4-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide has a molecular weight of 327.16 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[(6-fluoro-4-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167757637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).