N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide

C12H19ClN2O2S — CID 43744787

IUPACN-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide
SMILESCC(C)C(C)Nc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C12H19ClN2O2S/c1-8(2)9(3)14-10-5-6-12(11(13)7-10)15-18(4,16)17/h5-9,14-15H,1-4H3
InChIKeyVMKFEYXYRIJONB-UHFFFAOYSA-N
MW290.82 g/mol
LogP3.17
Rot. Bonds5

About N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide

N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide (PubChem CID 43744787) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide
PubChem CID43744787
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC NameN-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide
SMILESCC(C)C(C)Nc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C12H19ClN2O2S/c1-8(2)9(3)14-10-5-6-12(11(13)7-10)15-18(4,16)17/h5-9,14-15H,1-4H3
InChIKeyVMKFEYXYRIJONB-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-4-(propan-2-ylamino)phenyl]methanesulfonamide
CID 43744799
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide
CID 65337880
N-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide
CID 86790165
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
CID 43711074
N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide
CID 47030973
(2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide
CID 103928886
N-[3-chloro-4-(methanesulfonamido)phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 39329194
4-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 81076100
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide
CID 62855661
N-[3-chloro-4-(methanesulfonamido)phenyl]-4-(3-methylbutyl)benzenesulfonamide
CID 35545776
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpentanamide
CID 43711077

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide (CID 43744787) is N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide is CC(C)C(C)Nc1ccc(NS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide?
The InChIKey is VMKFEYXYRIJONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-8(2)9(3)14-10-5-6-12(11(13)7-10)15-18(4,16)17/h5-9,14-15H,1-4H3.
What are the key properties of N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide?
N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide has a molecular weight of 290.82 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 43744787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).