N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide

C16H26ClNO2S — CID 25268981

IUPACN-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide
SMILESCCCCCCCC(CCl)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H26ClNO2S/c1-3-4-5-6-7-8-15(13-17)18-21(19,20)16-11-9-14(2)10-12-16/h9-12,15,18H,3-8,13H2,1-2H3
InChIKeyCZUXTLMMKVQHQX-UHFFFAOYSA-N
MW331.91 g/mol
LogP4.24
Rot. Bonds10

About N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide

N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide (PubChem CID 25268981) has the molecular formula C16H26ClNO2S and a molecular weight of 331.91 g/mol. Its IUPAC name is N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide
PubChem CID25268981
Molecular FormulaC16H26ClNO2S
Molecular Weight331.91 g/mol
Exact Mass331.14
IUPAC NameN-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide
SMILESCCCCCCCC(CCl)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H26ClNO2S/c1-3-4-5-6-7-8-15(13-17)18-21(19,20)16-11-9-14(2)10-12-16/h9-12,15,18H,3-8,13H2,1-2H3
InChIKeyCZUXTLMMKVQHQX-UHFFFAOYSA-N
XLogP4.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.91
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-octan-3-ylbenzenesulfonamide
CID 11822147
4-methyl-N-[(2R)-2-[(4-methylphenyl)sulfonylamino]octyl]benzenesulfonamide
CID 101389381
N-dec-1-en-4-yl-4-methylbenzenesulfonamide
CID 11174340
4-methyl-N-undec-1-yn-4-ylbenzenesulfonamide
CID 78142014
ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate
CID 11372115
N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide
CID 11245994
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide
CID 11750792
4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide
CID 42632338
2-[(4-methylphenyl)sulfonylamino]hexyl thiocyanate
CID 86074061
N-nonan-4-ylbenzenesulfonamide
CID 174769116
N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102467096

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide (CID 25268981) is N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide is CCCCCCCC(CCl)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is CZUXTLMMKVQHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2S/c1-3-4-5-6-7-8-15(13-17)18-21(19,20)16-11-9-14(2)10-12-16/h9-12,15,18H,3-8,13H2,1-2H3.
What are the key properties of N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide?
N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 331.91 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 25268981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).