4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide

C13H17N3O3S — CID 106999010

IUPAC4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NCC1CNCCO1
InChIInChI=1S/C13H17N3O3S/c1-10-6-11(7-14)2-3-13(10)20(17,18)16-9-12-8-15-4-5-19-12/h2-3,6,12,15-16H,4-5,8-9H2,1H3
InChIKeyVBTMXGILRWWPGP-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.13
Rot. Bonds4

About 4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide

4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide (PubChem CID 106999010) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
PubChem CID106999010
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)NCC1CNCCO1
InChIInChI=1S/C13H17N3O3S/c1-10-6-11(7-14)2-3-13(10)20(17,18)16-9-12-8-15-4-5-19-12/h2-3,6,12,15-16H,4-5,8-9H2,1H3
InChIKeyVBTMXGILRWWPGP-UHFFFAOYSA-N
XLogP0.13
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 115323952
4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide
CID 154741903
4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990968
4-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbenzenesulfonamide
CID 106997288
4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 116527974
5-cyano-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563212
2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide
CID 115323961
4-cyano-N-(2-iodoethyl)-2-methylbenzenesulfonamide
CID 106442162
N-(2-bromoethyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998772
4-cyano-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724642
N-[[(2S)-morpholin-2-yl]methyl]methanesulfonamide
CID 93215764
N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide
CID 115323924

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide (CID 106999010) is 4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)NCC1CNCCO1.
What is the InChIKey of 4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide?
The InChIKey is VBTMXGILRWWPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-10-6-11(7-14)2-3-13(10)20(17,18)16-9-12-8-15-4-5-19-12/h2-3,6,12,15-16H,4-5,8-9H2,1H3.
What are the key properties of 4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide?
4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106999010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).