N-cyclopropyl-4-methyl-3-[3-(1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]benzenesulfonamide

C17H21N5O4S — CID 126798054

IUPACN-cyclopropyl-4-methyl-3-[3-(1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCOCC1c1ncn[nH]1
InChIInChI=1S/C17H21N5O4S/c1-11-2-5-13(27(24,25)21-12-3-4-12)8-14(11)17(23)22-6-7-26-9-15(22)16-18-10-19-20-16/h2,5,8,10,12,15,21H,3-4,6-7,9H2,1H3,(H,18,19,20)
InChIKeyYWCMHTBMIQSHJD-UHFFFAOYSA-N
MW391.45 g/mol
LogP0.77
Rot. Bonds5

About N-cyclopropyl-4-methyl-3-[3-(1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]benzenesulfonamide

N-cyclopropyl-4-methyl-3-[3-(1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]benzenesulfonamide (PubChem CID 126798054) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[3-(1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[3-(1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]benzenesulfonamide
PubChem CID126798054
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC NameN-cyclopropyl-4-methyl-3-[3-(1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCOCC1c1ncn[nH]1
InChIInChI=1S/C17H21N5O4S/c1-11-2-5-13(27(24,25)21-12-3-4-12)8-14(11)17(23)22-6-7-26-9-15(22)16-18-10-19-20-16/h2,5,8,10,12,15,21H,3-4,6-7,9H2,1H3,(H,18,19,20)
InChIKeyYWCMHTBMIQSHJD-UHFFFAOYSA-N
XLogP0.77
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-4-methyl-3-[3-(1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]benzenesulfonamide with MolForge

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Related Compounds

(3S)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholine-3-carboxylic acid
CID 125118663
N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119490233
N-cyclopropyl-3-(2-ethyl-4-methylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 154759478
N-cyclopropyl-3-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 49070882
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N-cyclopropyl-4-methylbenzenesulfonamide
CID 120814473
(3-benzylphenyl)-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 166237147
4-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32505338
(3S)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide
CID 124883687
(3R)-N-(1H-indol-6-yl)-3-(1H-1,2,4-triazol-5-yl)morpholine-4-carboxamide
CID 124883691
5-(cyclopropylsulfamoyl)-2-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 46679817
4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid
CID 119216310
N-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30536533

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[3-(1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[3-(1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]benzenesulfonamide (CID 126798054) is N-cyclopropyl-4-methyl-3-[3-(1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[3-(1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[3-(1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCOCC1c1ncn[nH]1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[3-(1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]benzenesulfonamide?
The InChIKey is YWCMHTBMIQSHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S/c1-11-2-5-13(27(24,25)21-12-3-4-12)8-14(11)17(23)22-6-7-26-9-15(22)16-18-10-19-20-16/h2,5,8,10,12,15,21H,3-4,6-7,9H2,1H3,(H,18,19,20).
What are the key properties of N-cyclopropyl-4-methyl-3-[3-(1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]benzenesulfonamide?
N-cyclopropyl-4-methyl-3-[3-(1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]benzenesulfonamide has a molecular weight of 391.45 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[3-(1H-1,2,4-triazol-5-yl)morpholine-4-carbonyl]benzenesulfonamide is sourced from PubChem (CID 126798054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).