N-tert-butyl-2-chloro-5-methylbenzenesulfonamide

C11H16ClNO2S — CID 117064126

IUPACN-tert-butyl-2-chloro-5-methylbenzenesulfonamide
SMILESCc1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C11H16ClNO2S/c1-8-5-6-9(12)10(7-8)16(14,15)13-11(2,3)4/h5-7,13H,1-4H3
InChIKeyYQUBCBJVKKLWOL-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.73
Rot. Bonds2

About N-tert-butyl-2-chloro-5-methylbenzenesulfonamide

N-tert-butyl-2-chloro-5-methylbenzenesulfonamide (PubChem CID 117064126) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-5-methylbenzenesulfonamide
PubChem CID117064126
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC NameN-tert-butyl-2-chloro-5-methylbenzenesulfonamide
SMILESCc1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C11H16ClNO2S/c1-8-5-6-9(12)10(7-8)16(14,15)13-11(2,3)4/h5-7,13H,1-4H3
InChIKeyYQUBCBJVKKLWOL-UHFFFAOYSA-N
XLogP2.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloro-5-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 122068940
[2-(tert-butylsulfamoyl)-4-methylphenyl]boronic acid
CID 163342481
3-[(2-chloro-5-methylphenyl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid
CID 167942914
3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide
CID 35344934
[2-(tert-butylsulfamoyl)-5-methylphenyl]boronic acid
CID 54758870
N'-(2,5-dichlorophenyl)sulfonyl-2,5-dimethylbenzenesulfonohydrazide
CID 8523597
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 3-(tert-butylsulfamoyl)-4-chlorobenzoate
CID 46622578
3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide
CID 106545074
3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide
CID 30878670
3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide
CID 34827308
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride
CID 120583388

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-5-methylbenzenesulfonamide?
The IUPAC name of N-tert-butyl-2-chloro-5-methylbenzenesulfonamide (CID 117064126) is N-tert-butyl-2-chloro-5-methylbenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-chloro-5-methylbenzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-chloro-5-methylbenzenesulfonamide is Cc1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-chloro-5-methylbenzenesulfonamide?
The InChIKey is YQUBCBJVKKLWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-8-5-6-9(12)10(7-8)16(14,15)13-11(2,3)4/h5-7,13H,1-4H3.
What are the key properties of N-tert-butyl-2-chloro-5-methylbenzenesulfonamide?
N-tert-butyl-2-chloro-5-methylbenzenesulfonamide has a molecular weight of 261.77 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-5-methylbenzenesulfonamide is sourced from PubChem (CID 117064126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).