N-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide

C13H15N3O3S2 — CID 106382169

IUPACN-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
SMILESO=c1[nH]c(CNc2ccc(S(=O)(=O)NC3CC3)cc2)cs1
InChIInChI=1S/C13H15N3O3S2/c17-13-15-11(8-20-13)7-14-9-3-5-12(6-4-9)21(18,19)16-10-1-2-10/h3-6,8,10,14,16H,1-2,7H2,(H,15,17)
InChIKeyRCCBQMSJGKOWFP-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.49
Rot. Bonds6

About N-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide

N-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide (PubChem CID 106382169) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
PubChem CID106382169
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC NameN-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
SMILESO=c1[nH]c(CNc2ccc(S(=O)(=O)NC3CC3)cc2)cs1
InChIInChI=1S/C13H15N3O3S2/c17-13-15-11(8-20-13)7-14-9-3-5-12(6-4-9)21(18,19)16-10-1-2-10/h3-6,8,10,14,16H,1-2,7H2,(H,15,17)
InChIKeyRCCBQMSJGKOWFP-UHFFFAOYSA-N
XLogP1.49
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide
CID 61012175
N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 61283817
N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 60919052
4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenecarbothioamide
CID 106381505
N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
CID 119044383
N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide
CID 43454039
N-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 82873492
4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381713
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62664839
4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383819
N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide
CID 116644409

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide (CID 106382169) is N-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide is O=c1[nH]c(CNc2ccc(S(=O)(=O)NC3CC3)cc2)cs1.
What is the InChIKey of N-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide?
The InChIKey is RCCBQMSJGKOWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c17-13-15-11(8-20-13)7-14-9-3-5-12(6-4-9)21(18,19)16-10-1-2-10/h3-6,8,10,14,16H,1-2,7H2,(H,15,17).
What are the key properties of N-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide?
N-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide has a molecular weight of 325.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 106382169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).