N-[4-(2,6-dimethylheptan-4-ylamino)phenyl]methanesulfonamide

C16H28N2O2S — CID 43725216

IUPACN-[4-(2,6-dimethylheptan-4-ylamino)phenyl]methanesulfonamide
SMILESCC(C)CC(CC(C)C)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H28N2O2S/c1-12(2)10-16(11-13(3)4)17-14-6-8-15(9-7-14)18-21(5,19)20/h6-9,12-13,16-18H,10-11H2,1-5H3
InChIKeyMSMQVFALUKYWHD-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.93
Rot. Bonds8

About N-[4-(2,6-dimethylheptan-4-ylamino)phenyl]methanesulfonamide

N-[4-(2,6-dimethylheptan-4-ylamino)phenyl]methanesulfonamide (PubChem CID 43725216) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-[4-(2,6-dimethylheptan-4-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylheptan-4-ylamino)phenyl]methanesulfonamide
PubChem CID43725216
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-[4-(2,6-dimethylheptan-4-ylamino)phenyl]methanesulfonamide
SMILESCC(C)CC(CC(C)C)Nc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H28N2O2S/c1-12(2)10-16(11-13(3)4)17-14-6-8-15(9-7-14)18-21(5,19)20/h6-9,12-13,16-18H,10-11H2,1-5H3
InChIKeyMSMQVFALUKYWHD-UHFFFAOYSA-N
XLogP3.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide
CID 103388606
N-(1-chloro-4-methylpentan-2-yl)-4-methylsulfonylaniline
CID 65029284
CID 90390717
CID 90390717
N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide
CID 29357603
N-[4-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]methanesulfonamide
CID 71991006
N-[4-(1-amino-1-hydroxy-3-methylbutyl)phenyl]methanesulfonamide
CID 154135153
(2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide
CID 31268880
4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline
CID 43747152
N-[4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 94113861
(2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide
CID 31268630
N-[2-[di(propan-2-yl)amino]ethyl]-4-(methanesulfonamido)benzenesulfonamide
CID 15599388
4-methyl-2-[4-(trifluoromethylsulfonyl)anilino]pentan-1-ol
CID 61247174

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylheptan-4-ylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2,6-dimethylheptan-4-ylamino)phenyl]methanesulfonamide (CID 43725216) is N-[4-(2,6-dimethylheptan-4-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2,6-dimethylheptan-4-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2,6-dimethylheptan-4-ylamino)phenyl]methanesulfonamide is CC(C)CC(CC(C)C)Nc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(2,6-dimethylheptan-4-ylamino)phenyl]methanesulfonamide?
The InChIKey is MSMQVFALUKYWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-12(2)10-16(11-13(3)4)17-14-6-8-15(9-7-14)18-21(5,19)20/h6-9,12-13,16-18H,10-11H2,1-5H3.
What are the key properties of N-[4-(2,6-dimethylheptan-4-ylamino)phenyl]methanesulfonamide?
N-[4-(2,6-dimethylheptan-4-ylamino)phenyl]methanesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylheptan-4-ylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 43725216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).