N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide

C16H24N2O4S — CID 29262539

IUPACN-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C16H24N2O4S/c1-16(2,3)17-23(20,21)14-11-12(7-8-13(14)22-4)15(19)18-9-5-6-10-18/h7-8,11,17H,5-6,9-10H2,1-4H3
InChIKeyKNFRAHOHHSWOEZ-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.01
Rot. Bonds4

About N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide

N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 29262539) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID29262539
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C16H24N2O4S/c1-16(2,3)17-23(20,21)14-11-12(7-8-13(14)22-4)15(19)18-9-5-6-10-18/h7-8,11,17H,5-6,9-10H2,1-4H3
InChIKeyKNFRAHOHHSWOEZ-UHFFFAOYSA-N
XLogP2.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 29261965
N-tert-butyl-5-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-2-methoxybenzenesulfonamide
CID 55987183
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119401125
3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
CID 26516485
2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119491799
5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 49071505
N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
CID 27693844
(3S)-1-[4-methoxy-3-(methylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125118224
2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119543843
N-cyclopentyl-2-methoxy-5-[4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55644273
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 29262539) is N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide is COc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is KNFRAHOHHSWOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-16(2,3)17-23(20,21)14-11-12(7-8-13(14)22-4)15(19)18-9-5-6-10-18/h7-8,11,17H,5-6,9-10H2,1-4H3.
What are the key properties of N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 29262539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).