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

C12H19ClN2O2S — CID 43708281

IUPACN-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide
SMILESCCCC(C)Nc1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C12H19ClN2O2S/c1-4-5-9(2)14-12-8-10(6-7-11(12)13)15-18(3,16)17/h6-9,14-15H,4-5H2,1-3H3
InChIKeyGGCDHWXHUQIPSJ-UHFFFAOYSA-N
MW290.82 g/mol
LogP3.31
Rot. Bonds6

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

N-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide (PubChem CID 43708281) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is N-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide
PubChem CID43708281
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC NameN-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide
SMILESCCCC(C)Nc1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C12H19ClN2O2S/c1-4-5-9(2)14-12-8-10(6-7-11(12)13)15-18(3,16)17/h6-9,14-15H,4-5H2,1-3H3
InChIKeyGGCDHWXHUQIPSJ-UHFFFAOYSA-N
XLogP3.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide
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CID 43706825
N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide
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N-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide
CID 79537742
2-chloro-5-fluoro-N-pentan-2-ylaniline
CID 107527281
2-chloro-5-methylsulfonyl-N-nonan-2-ylaniline
CID 43682127
(2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide
CID 54995930
N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide
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N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide (CID 43708281) is N-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide is CCCC(C)Nc1cc(NS(C)(=O)=O)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide?
The InChIKey is GGCDHWXHUQIPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-4-5-9(2)14-12-8-10(6-7-11(12)13)15-18(3,16)17/h6-9,14-15H,4-5H2,1-3H3.
What are the key properties of N-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide?
N-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide has a molecular weight of 290.82 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 43708281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).