N-[2-(azepan-4-ylamino)phenyl]methanesulfonamide

C13H21N3O2S — CID 103981459

IUPACN-[2-(azepan-4-ylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1NC1CCCNCC1
InChIInChI=1S/C13H21N3O2S/c1-19(17,18)16-13-7-3-2-6-12(13)15-11-5-4-9-14-10-8-11/h2-3,6-7,11,14-16H,4-5,8-10H2,1H3
InChIKeyLKOSCKONVRBLLN-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.61
Rot. Bonds4

About N-[2-(azepan-4-ylamino)phenyl]methanesulfonamide

N-[2-(azepan-4-ylamino)phenyl]methanesulfonamide (PubChem CID 103981459) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[2-(azepan-4-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-4-ylamino)phenyl]methanesulfonamide
PubChem CID103981459
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[2-(azepan-4-ylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1NC1CCCNCC1
InChIInChI=1S/C13H21N3O2S/c1-19(17,18)16-13-7-3-2-6-12(13)15-11-5-4-9-14-10-8-11/h2-3,6-7,11,14-16H,4-5,8-10H2,1H3
InChIKeyLKOSCKONVRBLLN-UHFFFAOYSA-N
XLogP1.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(dimethylamino)methyl]phenyl]azepan-4-amine
CID 103981509
N-[2-[(3-propan-2-ylcyclobutyl)amino]phenyl]methanesulfonamide
CID 103561544
N-(2-piperidin-1-ylphenyl)azepan-4-amine
CID 103980647
N-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide
CID 103981671
N-[2-(difluoromethylsulfanyl)phenyl]azepan-4-amine
CID 103980412
N-(2-benzylphenyl)azepan-4-amine
CID 103980459
N,N-dimethyl-2-(piperidin-3-ylamino)benzenesulfonamide
CID 55203561
2-methyl-N-piperidin-4-ylpyridin-3-amine
CID 79041620
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide
CID 106658526
5-(azepan-4-ylamino)naphthalen-1-ol
CID 103981451
N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 43710867
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-4-ylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(azepan-4-ylamino)phenyl]methanesulfonamide (CID 103981459) is N-[2-(azepan-4-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(azepan-4-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(azepan-4-ylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1NC1CCCNCC1.
What is the InChIKey of N-[2-(azepan-4-ylamino)phenyl]methanesulfonamide?
The InChIKey is LKOSCKONVRBLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-19(17,18)16-13-7-3-2-6-12(13)15-11-5-4-9-14-10-8-11/h2-3,6-7,11,14-16H,4-5,8-10H2,1H3.
What are the key properties of N-[2-(azepan-4-ylamino)phenyl]methanesulfonamide?
N-[2-(azepan-4-ylamino)phenyl]methanesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-4-ylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 103981459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).