5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide

C12H19ClN2O2S — CID 106031342

IUPAC5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(CN)ccc1Cl
InChIInChI=1S/C12H19ClN2O2S/c1-4-12(2,3)15-18(16,17)11-7-9(8-14)5-6-10(11)13/h5-7,15H,4,8,14H2,1-3H3
InChIKeyWBDVEKDOAFBKAE-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.27
Rot. Bonds5

About 5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide

5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 106031342) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID106031342
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(CN)ccc1Cl
InChIInChI=1S/C12H19ClN2O2S/c1-4-12(2,3)15-18(16,17)11-7-9(8-14)5-6-10(11)13/h5-7,15H,4,8,14H2,1-3H3
InChIKeyWBDVEKDOAFBKAE-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031396
4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106996543
4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031507
2-chloro-5-ethyl-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 167068186
5-(aminomethyl)-2-chloro-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 106059474
5-(aminomethyl)-2-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 106058925
5-(aminomethyl)-2-chloro-N-(4-iodophenyl)benzenesulfonamide
CID 106029582
5-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102915813
5-(aminomethyl)-2-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79361372
5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327519
4-(3-aminoprop-1-ynyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 60844090
5-(aminomethyl)-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
CID 106053951

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 106031342) is 5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1cc(CN)ccc1Cl.
What is the InChIKey of 5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is WBDVEKDOAFBKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-4-12(2,3)15-18(16,17)11-7-9(8-14)5-6-10(11)13/h5-7,15H,4,8,14H2,1-3H3.
What are the key properties of 5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide?
5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 290.82 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106031342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).