1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide

C14H16ClFN2O2S — CID 75389814

IUPAC1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide
SMILESCN(Cc1cccn1C)S(=O)(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H16ClFN2O2S/c1-17-7-3-4-12(17)9-18(2)21(19,20)10-11-5-6-14(16)13(15)8-11/h3-8H,9-10H2,1-2H3
InChIKeyNQKKPHRBFWROQZ-UHFFFAOYSA-N
MW330.81 g/mol
LogP2.78
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide

1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide (PubChem CID 75389814) has the molecular formula C14H16ClFN2O2S and a molecular weight of 330.81 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide
PubChem CID75389814
Molecular FormulaC14H16ClFN2O2S
Molecular Weight330.81 g/mol
Exact Mass330.06
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide
SMILESCN(Cc1cccn1C)S(=O)(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H16ClFN2O2S/c1-17-7-3-4-12(17)9-18(2)21(19,20)10-11-5-6-14(16)13(15)8-11/h3-8H,9-10H2,1-2H3
InChIKeyNQKKPHRBFWROQZ-UHFFFAOYSA-N
XLogP2.78
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 56512990
N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide
CID 10679621
N-(3-amino-2,2-dimethylpropyl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 120875512
N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 55531353
2-chloro-1-fluoro-4-(methylsulfonylmethyl)benzene
CID 2761444
1-(3-chloro-4-fluorophenyl)-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide
CID 129004950
N-(2-aminoethyl)-1-(3-chloro-4-fluorophenyl)-N-(2-phenylethyl)methanesulfonamide
CID 120877130
2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 42705137
2-[(3-chloro-4-fluorophenyl)carbamoyl-propan-2-ylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057269
1-(3-chloro-4-fluorophenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263220
1-(2,4-dichlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 38011114
1-(4-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 110724661

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide (CID 75389814) is 1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide is CN(Cc1cccn1C)S(=O)(=O)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide?
The InChIKey is NQKKPHRBFWROQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2S/c1-17-7-3-4-12(17)9-18(2)21(19,20)10-11-5-6-14(16)13(15)8-11/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide?
1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide has a molecular weight of 330.81 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 75389814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).