N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide

C16H19N3O4S2 — CID 113028667

IUPACN-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC3CCS(=O)(=O)C3)cn2)cc1
InChIInChI=1S/C16H19N3O4S2/c1-12-2-5-15(6-3-12)25(22,23)19-16-7-4-13(10-17-16)18-14-8-9-24(20,21)11-14/h2-7,10,14,18H,8-9,11H2,1H3,(H,17,19)
InChIKeyDVRVOQPKKQIGKL-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.79
Rot. Bonds5

About N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide

N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 113028667) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID113028667
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC NameN-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC3CCS(=O)(=O)C3)cn2)cc1
InChIInChI=1S/C16H19N3O4S2/c1-12-2-5-15(6-3-12)25(22,23)19-16-7-4-13(10-17-16)18-14-8-9-24(20,21)11-14/h2-7,10,14,18H,8-9,11H2,1H3,(H,17,19)
InChIKeyDVRVOQPKKQIGKL-UHFFFAOYSA-N
XLogP1.79
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113030160
N-[5-(cyclopropylamino)-2-pyridinyl]benzenesulfonamide
CID 113023765
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113013655
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113013629
N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113024541
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113013723
N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113024551
N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113030177
N-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine
CID 24693954
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024523
N-[5-(cyclopentylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113024552
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide (CID 113028667) is N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC3CCS(=O)(=O)C3)cn2)cc1.
What is the InChIKey of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is DVRVOQPKKQIGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-12-2-5-15(6-3-12)25(22,23)19-16-7-4-13(10-17-16)18-14-8-9-24(20,21)11-14/h2-7,10,14,18H,8-9,11H2,1H3,(H,17,19).
What are the key properties of N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide?
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 381.48 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 113028667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).