N-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide

C14H22ClN3O2S — CID 65070285

IUPACN-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide
SMILESCN1CCCC(Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1
InChIInChI=1S/C14H22ClN3O2S/c1-18-8-3-4-11(7-9-18)16-12-5-6-14(13(15)10-12)17-21(2,19)20/h5-6,10-11,16-17H,3-4,7-9H2,1-2H3
InChIKeyRFLDKJRKUOLRNI-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.61
Rot. Bonds4

About N-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide

N-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide (PubChem CID 65070285) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is N-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide
PubChem CID65070285
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC NameN-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide
SMILESCN1CCCC(Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1
InChIInChI=1S/C14H22ClN3O2S/c1-18-8-3-4-11(7-9-18)16-12-5-6-14(13(15)10-12)17-21(2,19)20/h5-6,10-11,16-17H,3-4,7-9H2,1-2H3
InChIKeyRFLDKJRKUOLRNI-UHFFFAOYSA-N
XLogP2.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide
CID 106594192
N-(2-chloro-5-methylsulfonylphenyl)-1-methylazepan-4-amine
CID 65070213
N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine
CID 65071149
N-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide
CID 43744752
N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine
CID 65071350
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide
CID 43708204
N-[2-chloro-4-(propan-2-ylamino)phenyl]methanesulfonamide
CID 43744799
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
N-(3,4-diethoxyphenyl)-1-methylazepan-4-amine
CID 65071088
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanesulfonamide
CID 7627398
N-(3-fluoro-4-methoxyphenyl)-1-methylazepan-4-amine
CID 65070158

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide (CID 65070285) is N-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide is CN1CCCC(Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1.
What is the InChIKey of N-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide?
The InChIKey is RFLDKJRKUOLRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-18-8-3-4-11(7-9-18)16-12-5-6-14(13(15)10-12)17-21(2,19)20/h5-6,10-11,16-17H,3-4,7-9H2,1-2H3.
What are the key properties of N-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide?
N-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide has a molecular weight of 331.87 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 65070285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).