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

C14H17N3O2S2 — CID 61283817

IUPACN-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
SMILESCc1nc(CNc2ccc(S(=O)(=O)NC3CC3)cc2)cs1
InChIInChI=1S/C14H17N3O2S2/c1-10-16-13(9-20-10)8-15-11-4-6-14(7-5-11)21(18,19)17-12-2-3-12/h4-7,9,12,15,17H,2-3,8H2,1H3
InChIKeyWUHILTHBFVEYED-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.50
Rot. Bonds6

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

N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide (PubChem CID 61283817) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
PubChem CID61283817
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC NameN-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
SMILESCc1nc(CNc2ccc(S(=O)(=O)NC3CC3)cc2)cs1
InChIInChI=1S/C14H17N3O2S2/c1-10-16-13(9-20-10)8-15-11-4-6-14(7-5-11)21(18,19)17-12-2-3-12/h4-7,9,12,15,17H,2-3,8H2,1H3
InChIKeyWUHILTHBFVEYED-UHFFFAOYSA-N
XLogP2.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 43742551
N-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 82873492
[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745271
N-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 106382169
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43139161
N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
CID 106048432
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide
CID 61012175
N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 60919052
4-(bromomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 65481025
N-[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43741273
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide (CID 61283817) is N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide is Cc1nc(CNc2ccc(S(=O)(=O)NC3CC3)cc2)cs1.
What is the InChIKey of N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide?
The InChIKey is WUHILTHBFVEYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-10-16-13(9-20-10)8-15-11-4-6-14(7-5-11)21(18,19)17-12-2-3-12/h4-7,9,12,15,17H,2-3,8H2,1H3.
What are the key properties of N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide?
N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide has a molecular weight of 323.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 61283817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).