methanesulfonamide;[4-(morpholin-2-ylmethylamino)-3-nitrophenyl]-phenylmethanone

C19H24N4O6S — CID 174952672

IUPACmethanesulfonamide;[4-(morpholin-2-ylmethylamino)-3-nitrophenyl]-phenylmethanone
SMILESCS(N)(=O)=O.O=C(c1ccccc1)c1ccc(NCC2CNCCO2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O4.CH5NO2S/c22-18(13-4-2-1-3-5-13)14-6-7-16(17(10-14)21(23)24)20-12-15-11-19-8-9-25-15;1-5(2,3)4/h1-7,10,15,19-20H,8-9,11-12H2;1H3,(H2,2,3,4)
InChIKeySDFNRKUYOLHBCQ-UHFFFAOYSA-N
MW436.49 g/mol
LogP1.13
Rot. Bonds6

About methanesulfonamide;[4-(morpholin-2-ylmethylamino)-3-nitrophenyl]-phenylmethanone

methanesulfonamide;[4-(morpholin-2-ylmethylamino)-3-nitrophenyl]-phenylmethanone (PubChem CID 174952672) has the molecular formula C19H24N4O6S and a molecular weight of 436.49 g/mol. Its IUPAC name is methanesulfonamide;[4-(morpholin-2-ylmethylamino)-3-nitrophenyl]-phenylmethanone.

Molecular Properties

Compound Namemethanesulfonamide;[4-(morpholin-2-ylmethylamino)-3-nitrophenyl]-phenylmethanone
PubChem CID174952672
Molecular FormulaC19H24N4O6S
Molecular Weight436.49 g/mol
Exact Mass436.14
IUPAC Namemethanesulfonamide;[4-(morpholin-2-ylmethylamino)-3-nitrophenyl]-phenylmethanone
SMILESCS(N)(=O)=O.O=C(c1ccccc1)c1ccc(NCC2CNCCO2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O4.CH5NO2S/c22-18(13-4-2-1-3-5-13)14-6-7-16(17(10-14)21(23)24)20-12-15-11-19-8-9-25-15;1-5(2,3)4/h1-7,10,15,19-20H,8-9,11-12H2;1H3,(H2,2,3,4)
InChIKeySDFNRKUYOLHBCQ-UHFFFAOYSA-N
XLogP1.13
TPSA153.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(morpholin-2-ylmethylamino)-4-nitrobenzamide
CID 82995436
4,5-dimethoxy-N-(morpholin-2-ylmethyl)-2-nitroaniline
CID 83004079
[4-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-3-nitrophenyl]-phenylmethanone
CID 133399676
2-(morpholin-2-ylmethylamino)benzenesulfonamide
CID 113287209
[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-3-nitrophenyl]-phenylmethanone
CID 51943066
3-nitro-4-[[(2S)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide
CID 41013296
2-(4-benzoyl-2-nitroanilino)-N-(2,6-dimethylphenyl)acetamide
CID 9184491
N-(morpholin-2-ylmethyl)-8-nitroisoquinolin-5-amine
CID 115324182
[4-[(4-hydroxyphenyl)methylamino]-3-nitrophenyl]-phenylmethanone
CID 47020734
4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324081
N,N-dimethyl-3-nitro-4-(pyrrolidin-3-ylmethylamino)benzamide
CID 82993219
1-[2-[(4-benzoyl-2-nitroanilino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 24561615

Frequently Asked Questions

What is the IUPAC name of methanesulfonamide;[4-(morpholin-2-ylmethylamino)-3-nitrophenyl]-phenylmethanone?
The IUPAC name of methanesulfonamide;[4-(morpholin-2-ylmethylamino)-3-nitrophenyl]-phenylmethanone (CID 174952672) is methanesulfonamide;[4-(morpholin-2-ylmethylamino)-3-nitrophenyl]-phenylmethanone.
What is the SMILES notation for methanesulfonamide;[4-(morpholin-2-ylmethylamino)-3-nitrophenyl]-phenylmethanone?
The canonical SMILES for methanesulfonamide;[4-(morpholin-2-ylmethylamino)-3-nitrophenyl]-phenylmethanone is CS(N)(=O)=O.O=C(c1ccccc1)c1ccc(NCC2CNCCO2)c([N+](=O)[O-])c1.
What is the InChIKey of methanesulfonamide;[4-(morpholin-2-ylmethylamino)-3-nitrophenyl]-phenylmethanone?
The InChIKey is SDFNRKUYOLHBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4.CH5NO2S/c22-18(13-4-2-1-3-5-13)14-6-7-16(17(10-14)21(23)24)20-12-15-11-19-8-9-25-15;1-5(2,3)4/h1-7,10,15,19-20H,8-9,11-12H2;1H3,(H2,2,3,4).
What are the key properties of methanesulfonamide;[4-(morpholin-2-ylmethylamino)-3-nitrophenyl]-phenylmethanone?
methanesulfonamide;[4-(morpholin-2-ylmethylamino)-3-nitrophenyl]-phenylmethanone has a molecular weight of 436.49 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonamide;[4-(morpholin-2-ylmethylamino)-3-nitrophenyl]-phenylmethanone is sourced from PubChem (CID 174952672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).