N-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide

C12H13ClN2O2S2 — CID 43743995

IUPACN-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1NCc1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2O2S2/c1-19(16,17)15-11-5-3-2-4-10(11)14-8-9-6-7-12(13)18-9/h2-7,14-15H,8H2,1H3
InChIKeyLBPNCLRJRFIFRN-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.39
Rot. Bonds5

About N-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide

N-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 43743995) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is N-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide
PubChem CID43743995
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC NameN-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1NCc1ccc(Cl)s1
InChIInChI=1S/C12H13ClN2O2S2/c1-19(16,17)15-11-5-3-2-4-10(11)14-8-9-6-7-12(13)18-9/h2-7,14-15H,8H2,1H3
InChIKeyLBPNCLRJRFIFRN-UHFFFAOYSA-N
XLogP3.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 43744046
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline
CID 102846283
2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 106048719
2-bromo-6-[(5-chlorothiophen-2-yl)methylamino]benzoic acid
CID 114888267
N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide
CID 61324135
3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707585
N-[2-[(1-methylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide
CID 62131328
3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol
CID 43741643
N-[(5-chlorothiophen-2-yl)methyl]-1-phenylmethanesulfonamide
CID 35603755
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-5-nitroaniline
CID 104815107
N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide
CID 168579813
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfonyl)aniline
CID 103656020

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide (CID 43743995) is N-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1NCc1ccc(Cl)s1.
What is the InChIKey of N-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is LBPNCLRJRFIFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c1-19(16,17)15-11-5-3-2-4-10(11)14-8-9-6-7-12(13)18-9/h2-7,14-15H,8H2,1H3.
What are the key properties of N-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide?
N-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 316.84 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 43743995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).